N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine

C19H38N2 — CID 106023087

IUPACN-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCCCC1C1CCCCN1
InChIInChI=1S/C19H38N2/c1-3-5-11-16(10-4-2)21-19-14-7-6-12-17(19)18-13-8-9-15-20-18/h16-21H,3-15H2,1-2H3
InChIKeyJMRNJEWFBYMIDL-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.64
Rot. Bonds8

About N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine

N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine (PubChem CID 106023087) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine
PubChem CID106023087
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCCCC1C1CCCCN1
InChIInChI=1S/C19H38N2/c1-3-5-11-16(10-4-2)21-19-14-7-6-12-17(19)18-13-8-9-15-20-18/h16-21H,3-15H2,1-2H3
InChIKeyJMRNJEWFBYMIDL-UHFFFAOYSA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553740
3-[(2-piperidin-2-ylcyclopentyl)amino]pentan-1-ol
CID 113495583
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
N-hexyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545809
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106224436
2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 79540645
N-ethoxy-2-piperidin-2-ylcyclohexan-1-amine
CID 82710395
N-[(1R)-1-cyclohexylethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81384136
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 79536699
N-(1-cyclohexylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544436
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine (CID 106023087) is N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine is CCCCC(CCC)NC1CCCCC1C1CCCCN1.
What is the InChIKey of N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine?
The InChIKey is JMRNJEWFBYMIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-5-11-16(10-4-2)21-19-14-7-6-12-17(19)18-13-8-9-15-20-18/h16-21H,3-15H2,1-2H3.
What are the key properties of N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine?
N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106023087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).