1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine

C25H51N3 — CID 167239993

IUPAC1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine
SMILESCCCCCCCC(NCC1CCCCCCCN1)C1CCCCCCCN1
InChIInChI=1S/C25H51N3/c1-2-3-4-7-13-19-25(24-18-14-9-6-11-16-21-27-24)28-22-23-17-12-8-5-10-15-20-26-23/h23-28H,2-22H2,1H3
InChIKeyZRSJWDPLBWRRKC-UHFFFAOYSA-N
MW393.70 g/mol
LogP5.93
Rot. Bonds10

About 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine

1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine (PubChem CID 167239993) has the molecular formula C25H51N3 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine.

Molecular Properties

Compound Name1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine
PubChem CID167239993
Molecular FormulaC25H51N3
Molecular Weight393.70 g/mol
Exact Mass393.41
IUPAC Name1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine
SMILESCCCCCCCC(NCC1CCCCCCCN1)C1CCCCCCCN1
InChIInChI=1S/C25H51N3/c1-2-3-4-7-13-19-25(24-18-14-9-6-11-16-21-27-24)28-22-23-17-12-8-5-10-15-20-26-23/h23-28H,2-22H2,1H3
InChIKeyZRSJWDPLBWRRKC-UHFFFAOYSA-N
XLogP5.93
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(azacyclododec-2-yl)-N-(azecan-2-ylmethyl)hexan-1-amine
CID 155378211
N-(piperidin-2-ylmethyl)hexan-2-amine
CID 62199509
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
2-heptadecylazepane
CID 4009189
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
2-tetradecylpiperidine
CID 151771246
1-piperidin-2-ylheptan-2-ol
CID 14021662
4-methyl-N-(piperidin-2-ylmethyl)hexan-2-amine
CID 106634056
2-ethyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 106632956
N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 106638277
(2S)-2-(2-methyloctyl)pyrrolidine
CID 146488139

Frequently Asked Questions

What is the IUPAC name of 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine?
The IUPAC name of 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine (CID 167239993) is 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine.
What is the SMILES notation for 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine?
The canonical SMILES for 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine is CCCCCCCC(NCC1CCCCCCCN1)C1CCCCCCCN1.
What is the InChIKey of 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine?
The InChIKey is ZRSJWDPLBWRRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3/c1-2-3-4-7-13-19-25(24-18-14-9-6-11-16-21-27-24)28-22-23-17-12-8-5-10-15-20-26-23/h23-28H,2-22H2,1H3.
What are the key properties of 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine?
1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine has a molecular weight of 393.70 g/mol, XLogP of 5.93, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine is sourced from PubChem (CID 167239993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).