2-(azocan-1-yl)nonan-1-amine

C16H34N2 — CID 43130470

IUPAC2-(azocan-1-yl)nonan-1-amine
SMILESCCCCCCCC(CN)N1CCCCCCC1
InChIInChI=1S/C16H34N2/c1-2-3-4-6-9-12-16(15-17)18-13-10-7-5-8-11-14-18/h16H,2-15,17H2,1H3
InChIKeyRXCHKHZZRMRUFZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.94
Rot. Bonds8

About 2-(azocan-1-yl)nonan-1-amine

2-(azocan-1-yl)nonan-1-amine (PubChem CID 43130470) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-(azocan-1-yl)nonan-1-amine.

Molecular Properties

Compound Name2-(azocan-1-yl)nonan-1-amine
PubChem CID43130470
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-(azocan-1-yl)nonan-1-amine
SMILESCCCCCCCC(CN)N1CCCCCCC1
InChIInChI=1S/C16H34N2/c1-2-3-4-6-9-12-16(15-17)18-13-10-7-5-8-11-14-18/h16H,2-15,17H2,1H3
InChIKeyRXCHKHZZRMRUFZ-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-undecan-5-ylpiperidine
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1-decan-4-ylpiperidine
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1-decan-3-ylpiperidine
CID 68984931
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
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2-thiomorpholin-4-ylheptan-1-amine
CID 43130462
2-(4,4-diethylpiperidin-1-yl)octan-1-amine
CID 55192466
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)nonan-1-amine?
The IUPAC name of 2-(azocan-1-yl)nonan-1-amine (CID 43130470) is 2-(azocan-1-yl)nonan-1-amine.
What is the SMILES notation for 2-(azocan-1-yl)nonan-1-amine?
The canonical SMILES for 2-(azocan-1-yl)nonan-1-amine is CCCCCCCC(CN)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)nonan-1-amine?
The InChIKey is RXCHKHZZRMRUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-3-4-6-9-12-16(15-17)18-13-10-7-5-8-11-14-18/h16H,2-15,17H2,1H3.
What are the key properties of 2-(azocan-1-yl)nonan-1-amine?
2-(azocan-1-yl)nonan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)nonan-1-amine is sourced from PubChem (CID 43130470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).