[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine

C17H35N3 — CID 62776722

IUPAC[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-15-5-6-16(12-18)17(11-15)20-9-7-19(8-10-20)13-14(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyZIQAQAAPLIDPOW-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.41
Rot. Bonds5

About [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine

[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 62776722) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID62776722
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-15-5-6-16(12-18)17(11-15)20-9-7-19(8-10-20)13-14(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyZIQAQAAPLIDPOW-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine
CID 61440702
4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
CID 55116782
(4-ethyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293406
[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine
CID 61430009
ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate
CID 63382681
2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine
CID 55117690
2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine
CID 62776201
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465
[4-ethyl-2-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43293344
(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
CID 43530816
[2-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 103503245

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine (CID 62776722) is [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine is CCC1CCC(CN)C(N2CCN(CC(C)C)CC2)C1.
What is the InChIKey of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is ZIQAQAAPLIDPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-15-5-6-16(12-18)17(11-15)20-9-7-19(8-10-20)13-14(2)3/h14-17H,4-13,18H2,1-3H3.
What are the key properties of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 62776722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).