2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine

C16H34N2O — CID 118371777

IUPAC2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine
SMILESC=C(C)NCCCC(C)OCCC(C)(CC)CNC
InChIInChI=1S/C16H34N2O/c1-7-16(5,13-17-6)10-12-19-15(4)9-8-11-18-14(2)3/h15,17-18H,2,7-13H2,1,3-6H3
InChIKeyRMDMGEZSYAWXQZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.32
Rot. Bonds12

About 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine

2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine (PubChem CID 118371777) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine
PubChem CID118371777
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine
SMILESC=C(C)NCCCC(C)OCCC(C)(CC)CNC
InChIInChI=1S/C16H34N2O/c1-7-16(5,13-17-6)10-12-19-15(4)9-8-11-18-14(2)3/h15,17-18H,2,7-13H2,1,3-6H3
InChIKeyRMDMGEZSYAWXQZ-UHFFFAOYSA-N
XLogP3.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine?
The IUPAC name of 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine (CID 118371777) is 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine is C=C(C)NCCCC(C)OCCC(C)(CC)CNC.
What is the InChIKey of 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine?
The InChIKey is RMDMGEZSYAWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-16(5,13-17-6)10-12-19-15(4)9-8-11-18-14(2)3/h15,17-18H,2,7-13H2,1,3-6H3.
What are the key properties of 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine?
2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.32, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-4-[5-(prop-1-en-2-ylamino)pentan-2-yloxy]butan-1-amine is sourced from PubChem (CID 118371777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).