N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine

C14H29N3 — CID 63898166

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCC2CN(C)CCN2C)C1
InChIInChI=1S/C14H29N3/c1-12-5-4-6-13(9-12)15-10-14-11-16(2)7-8-17(14)3/h12-15H,4-11H2,1-3H3
InChIKeyCAKKLWDBQMBEJZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 63898166) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine
PubChem CID63898166
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCC2CN(C)CCN2C)C1
InChIInChI=1S/C14H29N3/c1-12-5-4-6-13(9-12)15-10-14-11-16(2)7-8-17(14)3/h12-15H,4-11H2,1-3H3
InChIKeyCAKKLWDBQMBEJZ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine
CID 103982170
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine
CID 63896493
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
CID 71994764
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 63620169
3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
CID 115620804
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
CID 63897610

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine (CID 63898166) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCC2CN(C)CCN2C)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is CAKKLWDBQMBEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-5-4-6-13(9-12)15-10-14-11-16(2)7-8-17(14)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63898166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).