N-[2-(azepan-1-yl)ethyl]heptan-2-amine

C15H32N2 — CID 61241150

IUPACN-[2-(azepan-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCCCCC1
InChIInChI=1S/C15H32N2/c1-3-4-7-10-15(2)16-11-14-17-12-8-5-6-9-13-17/h15-16H,3-14H2,1-2H3
InChIKeyVNMOSDHVDMCNFA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About N-[2-(azepan-1-yl)ethyl]heptan-2-amine

N-[2-(azepan-1-yl)ethyl]heptan-2-amine (PubChem CID 61241150) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]heptan-2-amine
PubChem CID61241150
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[2-(azepan-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCCCCC1
InChIInChI=1S/C15H32N2/c1-3-4-7-10-15(2)16-11-14-17-12-8-5-6-9-13-17/h15-16H,3-14H2,1-2H3
InChIKeyVNMOSDHVDMCNFA-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
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

N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
CID 62560602
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine
CID 63503790
5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
CID 107913763
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
CID 55161282
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine
CID 79945499
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]heptan-2-amine (CID 61241150) is N-[2-(azepan-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]heptan-2-amine?
The InChIKey is VNMOSDHVDMCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-4-7-10-15(2)16-11-14-17-12-8-5-6-9-13-17/h15-16H,3-14H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]heptan-2-amine?
N-[2-(azepan-1-yl)ethyl]heptan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 61241150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).