2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine

C30H67N5O9 — CID 170596571

IUPAC2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine
SMILESC=C(C)OC/C(N)=C/N(N)CCOCCOCCCCCOCCOCCOCCOCCO.CC.CCCNC.NC=O
InChIInChI=1S/C23H47N3O8.C4H11N.C2H6.CH3NO/c1-22(2)34-21-23(24)20-26(25)6-10-30-14-12-28-8-4-3-5-9-29-13-16-32-18-19-33-17-15-31-11-7-27;1-3-4-5-2;1-2;2-1-3/h20,27H,1,3-19,21,24-25H2,2H3;5H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3)/b23-20-;;;
InChIKeyRHMPZGHMJWVIOP-HQRISLBVSA-N
MW641.89 g/mol
LogP1.52
Rot. Bonds29

About 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine

2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine (PubChem CID 170596571) has the molecular formula C30H67N5O9 and a molecular weight of 641.89 g/mol. Its IUPAC name is 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine
PubChem CID170596571
Molecular FormulaC30H67N5O9
Molecular Weight641.89 g/mol
Exact Mass641.49
IUPAC Name2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine
SMILESC=C(C)OC/C(N)=C/N(N)CCOCCOCCCCCOCCOCCOCCOCCO.CC.CCCNC.NC=O
InChIInChI=1S/C23H47N3O8.C4H11N.C2H6.CH3NO/c1-22(2)34-21-23(24)20-26(25)6-10-30-14-12-28-8-4-3-5-9-29-13-16-32-18-19-33-17-15-31-11-7-27;1-3-4-5-2;1-2;2-1-3/h20,27H,1,3-19,21,24-25H2,2H3;5H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3)/b23-20-;;;
InChIKeyRHMPZGHMJWVIOP-HQRISLBVSA-N
XLogP1.52
TPSA195.24 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.89
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine?
The IUPAC name of 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine (CID 170596571) is 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine.
What is the SMILES notation for 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine?
The canonical SMILES for 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine is C=C(C)OC/C(N)=C/N(N)CCOCCOCCCCCOCCOCCOCCOCCO.CC.CCCNC.NC=O.
What is the InChIKey of 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine?
The InChIKey is RHMPZGHMJWVIOP-HQRISLBVSA-N. The full InChI is InChI=1S/C23H47N3O8.C4H11N.C2H6.CH3NO/c1-22(2)34-21-23(24)20-26(25)6-10-30-14-12-28-8-4-3-5-9-29-13-16-32-18-19-33-17-15-31-11-7-27;1-3-4-5-2;1-2;2-1-3/h20,27H,1,3-19,21,24-25H2,2H3;5H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3)/b23-20-;;;.
What are the key properties of 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine?
2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine has a molecular weight of 641.89 g/mol, XLogP of 1.52, 29 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine is sourced from PubChem (CID 170596571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).