6-(azepan-1-yl)-N-propylhexan-3-amine

C15H32N2 — CID 106799197

IUPAC6-(azepan-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCN1CCCCCC1
InChIInChI=1S/C15H32N2/c1-3-11-16-15(4-2)10-9-14-17-12-7-5-6-8-13-17/h15-16H,3-14H2,1-2H3
InChIKeyYBHAGPYLSIYIHV-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About 6-(azepan-1-yl)-N-propylhexan-3-amine

6-(azepan-1-yl)-N-propylhexan-3-amine (PubChem CID 106799197) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-propylhexan-3-amine
PubChem CID106799197
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name6-(azepan-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCN1CCCCCC1
InChIInChI=1S/C15H32N2/c1-3-11-16-15(4-2)10-9-14-17-12-7-5-6-8-13-17/h15-16H,3-14H2,1-2H3
InChIKeyYBHAGPYLSIYIHV-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

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Related Compounds

N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine
CID 106799813
4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
6-(2-methylpiperidin-1-yl)-N-propylhexan-3-amine
CID 106799179
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
CID 106799849
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
N-(2-thiomorpholin-4-ylethyl)heptan-3-amine
CID 115719254
2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 29046500
1-chloro-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913663
2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-propylhexan-3-amine?
The IUPAC name of 6-(azepan-1-yl)-N-propylhexan-3-amine (CID 106799197) is 6-(azepan-1-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-propylhexan-3-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-propylhexan-3-amine is CCCNC(CC)CCCN1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-N-propylhexan-3-amine?
The InChIKey is YBHAGPYLSIYIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-11-16-15(4-2)10-9-14-17-12-7-5-6-8-13-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 6-(azepan-1-yl)-N-propylhexan-3-amine?
6-(azepan-1-yl)-N-propylhexan-3-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 6-(azepan-1-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 106799197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).