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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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).