2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine

C16H34N4 — CID 62888860

IUPAC2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H34N4/c1-17-16-7-5-4-6-15(16)14-20-12-10-19(11-13-20)9-8-18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyMXXIRRVWUXULRF-UHFFFAOYSA-N
MW282.48 g/mol
LogP0.94
Rot. Bonds6

About 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine

2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine (PubChem CID 62888860) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
PubChem CID62888860
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H34N4/c1-17-16-7-5-4-6-15(16)14-20-12-10-19(11-13-20)9-8-18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyMXXIRRVWUXULRF-UHFFFAOYSA-N
XLogP0.94
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094031
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methylcyclopentan-1-amine
CID 62610911
1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507992
2-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 62609502
N,N,4-trimethyl-1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 81475324
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine
CID 79383942
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 63160246
N-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62609782
2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 103538860
[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 112629018
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 107459340

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine (CID 62888860) is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1CN1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is MXXIRRVWUXULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-17-16-7-5-4-6-15(16)14-20-12-10-19(11-13-20)9-8-18(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine?
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 282.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62888860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).