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

C17H33N3 — CID 62610035

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H33N3/c1-2-18-17-7-5-3-4-6-15(17)14-19-10-12-20(13-11-19)16-8-9-16/h15-18H,2-14H2,1H3
InChIKeyAEJKXEQZLFNTOD-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds5

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

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine (PubChem CID 62610035) 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-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
PubChem CID62610035
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H33N3/c1-2-18-17-7-5-3-4-6-15(17)14-19-10-12-20(13-11-19)16-8-9-16/h15-18H,2-14H2,1H3
InChIKeyAEJKXEQZLFNTOD-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-propylcyclohexan-1-amine
CID 62614441
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62773696
2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 63495462
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
CID 113336166
N-ethyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxolan-3-amine
CID 66258170

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine (CID 62610035) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1CN1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The InChIKey is AEJKXEQZLFNTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-18-17-7-5-3-4-6-15(17)14-19-10-12-20(13-11-19)16-8-9-16/h15-18H,2-14H2,1H3.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 5 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-ethylcycloheptan-1-amine is sourced from PubChem (CID 62610035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).