[3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine

C14H29N3 — CID 66608260

IUPAC[3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC(C)N1CCN(C2CCCC(CN)C2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)16-6-8-17(9-7-16)14-5-3-4-13(10-14)11-15/h12-14H,3-11,15H2,1-2H3
InChIKeyQKFGVHIZBSTBKE-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine

[3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine (PubChem CID 66608260) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
PubChem CID66608260
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC(C)N1CCN(C2CCCC(CN)C2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)16-6-8-17(9-7-16)14-5-3-4-13(10-14)11-15/h12-14H,3-11,15H2,1-2H3
InChIKeyQKFGVHIZBSTBKE-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465
(3-piperidin-1-ylcycloheptyl)methanamine
CID 83863354
cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66602973
cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634425
trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634462
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
2-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]ethanol
CID 156683774
2-(3-piperidin-1-ylcyclohexyl)ethanamine
CID 83863283
1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
CID 176935979
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512

Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine (CID 66608260) is [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine is CC(C)N1CCN(C2CCCC(CN)C2)CC1.
What is the InChIKey of [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The InChIKey is QKFGVHIZBSTBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)16-6-8-17(9-7-16)14-5-3-4-13(10-14)11-15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
[3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 66608260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).