4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine

C14H29N3 — CID 67476033

IUPAC4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)15-13-4-6-14(7-5-13)17-10-8-16(3)9-11-17/h12-15H,4-11H2,1-3H3
InChIKeyLKPJCNDHVYBFIK-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine

4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 67476033) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID67476033
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)15-13-4-6-14(7-5-13)17-10-8-16(3)9-11-17/h12-15H,4-11H2,1-3H3
InChIKeyLKPJCNDHVYBFIK-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-pyrrolidin-1-ylcyclohexan-1-amine
CID 178010020
4-piperidin-1-yl-N-propan-2-ylcyclohexan-1-amine
CID 115906137
1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
CID 159993656
(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol
CID 174300684
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 134438039
(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91040267
1-(4-iodocyclohexyl)-4-methylpiperazine
CID 134444835
1-cyclopropyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43747064
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
CID 66602932
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine (CID 67476033) is 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is LKPJCNDHVYBFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)15-13-4-6-14(7-5-13)17-10-8-16(3)9-11-17/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 67476033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).