N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine

C18H37N3 — CID 83038989

IUPACN-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-5-8-17(15-19-18(2,3)4)21-13-11-20(12-14-21)16-9-6-7-10-16/h16-17,19H,5-15H2,1-4H3
InChIKeyONQXRUNBVQGHPF-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.10
Rot. Bonds6

About N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine

N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine (PubChem CID 83038989) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
PubChem CID83038989
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-5-8-17(15-19-18(2,3)4)21-13-11-20(12-14-21)16-9-6-7-10-16/h16-17,19H,5-15H2,1-4H3
InChIKeyONQXRUNBVQGHPF-UHFFFAOYSA-N
XLogP3.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
N-tert-butyl-2-(4-ethylazepan-1-yl)pentan-1-amine
CID 83055251
N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238325
N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
CID 83054006
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpentan-1-amine
CID 83055173
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine
CID 83054809
N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
CID 83054955
N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 83054505
2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62446735
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2-methylbutan-1-amine
CID 79945283
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814
2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
CID 62950972

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine (CID 83038989) is N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine?
The InChIKey is ONQXRUNBVQGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-8-17(15-19-18(2,3)4)21-13-11-20(12-14-21)16-9-6-7-10-16/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine?
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 83038989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).