2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine

C17H35N3 — CID 62774800

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1N1CCN(C(C)CC)CC1
InChIInChI=1S/C17H35N3/c1-4-15(3)19-11-13-20(14-12-19)17-10-8-6-7-9-16(17)18-5-2/h15-18H,4-14H2,1-3H3
InChIKeyRWUNHAQDUJXYSK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine (PubChem CID 62774800) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine
PubChem CID62774800
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1N1CCN(C(C)CC)CC1
InChIInChI=1S/C17H35N3/c1-4-15(3)19-11-13-20(14-12-19)17-10-8-6-7-9-16(17)18-5-2/h15-18H,4-14H2,1-3H3
InChIKeyRWUNHAQDUJXYSK-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine
CID 55117691
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62773696
N-ethyl-2-(4-propylpiperidin-1-yl)cyclooctan-1-amine
CID 63469847
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
N-ethyl-2-(4-propylpiperidin-1-yl)cycloheptan-1-amine
CID 63469846
2-(4-butan-2-ylpiperazin-1-yl)cycloheptane-1-carboxylic acid
CID 63074577
trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 102734676
trans-(1R,2R)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 102734677
N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 62967694
N-ethyl-2-(4-ethyl-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 63160766
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine (CID 62774800) is 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1N1CCN(C(C)CC)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine?
The InChIKey is RWUNHAQDUJXYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-15(3)19-11-13-20(14-12-19)17-10-8-6-7-9-16(17)18-5-2/h15-18H,4-14H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 62774800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).