N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine

C16H30N2 — CID 113336240

IUPACN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine
SMILESC1CCCC(NCCN2CC3CCCC3C2)CC1
InChIInChI=1S/C16H30N2/c1-2-4-9-16(8-3-1)17-10-11-18-12-14-6-5-7-15(14)13-18/h14-17H,1-13H2
InChIKeySYQRJWHGTLUUDZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine

N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine (PubChem CID 113336240) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine
PubChem CID113336240
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine
SMILESC1CCCC(NCCN2CC3CCCC3C2)CC1
InChIInChI=1S/C16H30N2/c1-2-4-9-16(8-3-1)17-10-11-18-12-14-6-5-7-15(14)13-18/h14-17H,1-13H2
InChIKeySYQRJWHGTLUUDZ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
CID 55024032
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine
CID 66369856
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
CID 63100030
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
CID 62574590
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol
CID 106673566
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
CID 79118522

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine (CID 113336240) is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine is C1CCCC(NCCN2CC3CCCC3C2)CC1.
What is the InChIKey of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine?
The InChIKey is SYQRJWHGTLUUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-4-9-16(8-3-1)17-10-11-18-12-14-6-5-7-15(14)13-18/h14-17H,1-13H2.
What are the key properties of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine?
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 113336240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).