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

C17H33N3 — CID 62614441

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H33N3/c1-2-9-18-17-6-4-3-5-15(17)14-19-10-12-20(13-11-19)16-7-8-16/h15-18H,2-14H2,1H3
InChIKeyHORLJJZHGDZIRM-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds6

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

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 62614441) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID62614441
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H33N3/c1-2-9-18-17-6-4-3-5-15(17)14-19-10-12-20(13-11-19)16-7-8-16/h15-18H,2-14H2,1H3
InChIKeyHORLJJZHGDZIRM-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
2-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79565396
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616535
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616357
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62616468
4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
CID 107408771
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
N,N-dimethyl-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 55160102

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine (CID 62614441) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CN1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is HORLJJZHGDZIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-9-18-17-6-4-3-5-15(17)14-19-10-12-20(13-11-19)16-7-8-16/h15-18H,2-14H2,1H3.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62614441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).