10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine

C27H57N3 — CID 15461877

IUPAC10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine
SMILESCCCCCCN(CCCCC)CCCCCCCCCCC1N(C)CCCN1C
InChIInChI=1S/C27H57N3/c1-5-7-9-18-25-30(24-17-8-6-2)26-19-15-13-11-10-12-14-16-21-27-28(3)22-20-23-29(27)4/h27H,5-26H2,1-4H3
InChIKeySOEZKVHJPKDRIV-UHFFFAOYSA-N
MW423.77 g/mol
LogP7.16
Rot. Bonds20

About 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine

10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine (PubChem CID 15461877) has the molecular formula C27H57N3 and a molecular weight of 423.77 g/mol. Its IUPAC name is 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine.

Molecular Properties

Compound Name10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine
PubChem CID15461877
Molecular FormulaC27H57N3
Molecular Weight423.77 g/mol
Exact Mass423.46
IUPAC Name10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine
SMILESCCCCCCN(CCCCC)CCCCCCCCCCC1N(C)CCCN1C
InChIInChI=1S/C27H57N3/c1-5-7-9-18-25-30(24-17-8-6-2)26-19-15-13-11-10-12-14-16-21-27-28(3)22-20-23-29(27)4/h27H,5-26H2,1-4H3
InChIKeySOEZKVHJPKDRIV-UHFFFAOYSA-N
XLogP7.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 57.16
H-Bond Donors ≤ 50
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 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine?
The IUPAC name of 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine (CID 15461877) is 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine.
What is the SMILES notation for 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine?
The canonical SMILES for 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine is CCCCCCN(CCCCC)CCCCCCCCCCC1N(C)CCCN1C.
What is the InChIKey of 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine?
The InChIKey is SOEZKVHJPKDRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N3/c1-5-7-9-18-25-30(24-17-8-6-2)26-19-15-13-11-10-12-14-16-21-27-28(3)22-20-23-29(27)4/h27H,5-26H2,1-4H3.
What are the key properties of 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine?
10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine has a molecular weight of 423.77 g/mol, XLogP of 7.16, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine is sourced from PubChem (CID 15461877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).