N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

C16H33N3 — CID 62446554

IUPACN-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)12-17-13-15(3)18-8-10-19(11-9-18)16-6-4-5-7-16/h14-17H,4-13H2,1-3H3
InChIKeyDEIQFDAXLYIREJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 62446554) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID62446554
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)12-17-13-15(3)18-8-10-19(11-9-18)16-6-4-5-7-16/h14-17H,4-13H2,1-3H3
InChIKeyDEIQFDAXLYIREJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62568657
4-(4-cyclopentylpiperazin-1-yl)pentan-2-ol
CID 64720163
N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
CID 62411356
2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55087769
3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
CID 62569572
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62420010
N-[2-(4-tert-butylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62463018
1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
CID 23439594
4-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 55072549
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-prop-2-enylpropan-1-amine
CID 79936605
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (CID 62446554) is N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is DEIQFDAXLYIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)12-17-13-15(3)18-8-10-19(11-9-18)16-6-4-5-7-16/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62446554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).