2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine

C17H36N4 — CID 64734682

IUPAC2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCN(CCN(C)C)CC2)C(N)C1
InChIInChI=1S/C17H36N4/c1-14-11-15(2)16(17(18)12-14)13-21-9-7-20(8-10-21)6-5-19(3)4/h14-17H,5-13,18H2,1-4H3
InChIKeyGQJMUYLQPZSOQO-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.18
Rot. Bonds5

About 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine

2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64734682) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64734682
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCN(CCN(C)C)CC2)C(N)C1
InChIInChI=1S/C17H36N4/c1-14-11-15(2)16(17(18)12-14)13-21-9-7-20(8-10-21)6-5-19(3)4/h14-17H,5-13,18H2,1-4H3
InChIKeyGQJMUYLQPZSOQO-UHFFFAOYSA-N
XLogP1.18
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736642
3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 64735862
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
CID 64736403
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
[1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 64735025
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734690
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
CID 64735469
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
3,5-dimethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 64735863

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine (CID 64734682) is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(CN2CCN(CCN(C)C)CC2)C(N)C1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is GQJMUYLQPZSOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-14-11-15(2)16(17(18)12-14)13-21-9-7-20(8-10-21)6-5-19(3)4/h14-17H,5-13,18H2,1-4H3.
What are the key properties of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine?
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 1.18, 5 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]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64734682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).