N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine

C17H35N3 — CID 62775719

IUPACN,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)12-19-7-9-20(10-8-19)13-16-11-15(3)5-6-17(16)18-4/h14-18H,5-13H2,1-4H3
InChIKeyRBTBVJZWGJKFCP-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.28
Rot. Bonds5

About N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine

N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 62775719) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
PubChem CID62775719
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)12-19-7-9-20(10-8-19)13-16-11-15(3)5-6-17(16)18-4/h14-18H,5-13H2,1-4H3
InChIKeyRBTBVJZWGJKFCP-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63003105
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62616797
N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059892
N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
CID 66246969
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 55216410
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 62614705
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708673
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine
CID 62104395
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
N-methyl-4-propan-2-yl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine
CID 62708118

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine (CID 62775719) is N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine is CNC1CCC(C)CC1CN1CCN(CC(C)C)CC1.
What is the InChIKey of N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is RBTBVJZWGJKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)12-19-7-9-20(10-8-19)13-16-11-15(3)5-6-17(16)18-4/h14-18H,5-13H2,1-4H3.
What are the key properties of N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62775719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).