2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine

C17H35N3 — CID 62616357

IUPAC2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN1CCN(C(C)C)CC1
InChIInChI=1S/C17H35N3/c1-4-9-18-17-8-6-5-7-16(17)14-19-10-12-20(13-11-19)15(2)3/h15-18H,4-14H2,1-3H3
InChIKeyVBMGQDFOPXTOBP-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine

2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 62616357) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID62616357
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN1CCN(C(C)C)CC1
InChIInChI=1S/C17H35N3/c1-4-9-18-17-8-6-5-7-16(17)14-19-10-12-20(13-11-19)15(2)3/h15-18H,4-14H2,1-3H3
InChIKeyVBMGQDFOPXTOBP-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62616468
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614441
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62773696
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616535
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propylcycloheptan-1-amine
CID 63973579
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
N,N-dimethyl-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 55160102
4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
CID 107408771
2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614593
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine (CID 62616357) is 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CN1CCN(C(C)C)CC1.
What is the InChIKey of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is VBMGQDFOPXTOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-9-18-17-8-6-5-7-16(17)14-19-10-12-20(13-11-19)15(2)3/h15-18H,4-14H2,1-3H3.
What are the key properties of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62616357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).