7-(azepan-1-yl)heptan-1-amine

C13H28N2 — CID 28597448

IUPAC7-(azepan-1-yl)heptan-1-amine
SMILESNCCCCCCCN1CCCCCC1
InChIInChI=1S/C13H28N2/c14-10-6-2-1-3-7-11-15-12-8-4-5-9-13-15/h1-14H2
InChIKeyKTBFABZNOOTPFZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds7

About 7-(azepan-1-yl)heptan-1-amine

7-(azepan-1-yl)heptan-1-amine (PubChem CID 28597448) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 7-(azepan-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(azepan-1-yl)heptan-1-amine
PubChem CID28597448
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name7-(azepan-1-yl)heptan-1-amine
SMILESNCCCCCCCN1CCCCCC1
InChIInChI=1S/C13H28N2/c14-10-6-2-1-3-7-11-15-12-8-4-5-9-13-15/h1-14H2
InChIKeyKTBFABZNOOTPFZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.77
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

9-piperidin-1-ylnonan-1-amine
CID 123762077
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
N'-[6-(azepan-1-yl)hexyl]hexane-1,6-diamine;ethane
CID 142304743
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268

Frequently Asked Questions

What is the IUPAC name of 7-(azepan-1-yl)heptan-1-amine?
The IUPAC name of 7-(azepan-1-yl)heptan-1-amine (CID 28597448) is 7-(azepan-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(azepan-1-yl)heptan-1-amine?
The canonical SMILES for 7-(azepan-1-yl)heptan-1-amine is NCCCCCCCN1CCCCCC1.
What is the InChIKey of 7-(azepan-1-yl)heptan-1-amine?
The InChIKey is KTBFABZNOOTPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c14-10-6-2-1-3-7-11-15-12-8-4-5-9-13-15/h1-14H2.
What are the key properties of 7-(azepan-1-yl)heptan-1-amine?
7-(azepan-1-yl)heptan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azepan-1-yl)heptan-1-amine is sourced from PubChem (CID 28597448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).