3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine

C15H31N3 — CID 63045605

IUPAC3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCC(C)CN1CCN(CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)11-17-6-8-18(9-7-17)12-14-4-3-5-15(16)10-14/h13-15H,3-12,16H2,1-2H3
InChIKeyMSIVKZNRWDIZTQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds4

About 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine

3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 63045605) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
PubChem CID63045605
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCC(C)CN1CCN(CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)11-17-6-8-18(9-7-17)12-14-4-3-5-15(16)10-14/h13-15H,3-12,16H2,1-2H3
InChIKeyMSIVKZNRWDIZTQ-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 167776529
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046292
2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine
CID 62776201
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 63161660
[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine
CID 147678313
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 63046291
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465
3-[(3-methoxypyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 103534683
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
CID 171598401

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine (CID 63045605) is 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine is CC(C)CN1CCN(CC2CCCC(N)C2)CC1.
What is the InChIKey of 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is MSIVKZNRWDIZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)11-17-6-8-18(9-7-17)12-14-4-3-5-15(16)10-14/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63045605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).