N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C16H30N2 — CID 82852806

IUPACN-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESC[C@H](NC1CCN2CCCC12)C1CCCCCC1
InChIInChI=1S/C16H30N2/c1-13(14-7-4-2-3-5-8-14)17-15-10-12-18-11-6-9-16(15)18/h13-17H,2-12H2,1H3/t13-,15?,16?/m0/s1
InChIKeyHRXNNSKWHRMUIO-JEYLPNPQSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds3

About N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82852806) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82852806
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESC[C@H](NC1CCN2CCCC12)C1CCCCCC1
InChIInChI=1S/C16H30N2/c1-13(14-7-4-2-3-5-8-14)17-15-10-12-18-11-6-9-16(15)18/h13-17H,2-12H2,1H3/t13-,15?,16?/m0/s1
InChIKeyHRXNNSKWHRMUIO-JEYLPNPQSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82852806) is N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is C[C@H](NC1CCN2CCCC12)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is HRXNNSKWHRMUIO-JEYLPNPQSA-N. The full InChI is InChI=1S/C16H30N2/c1-13(14-7-4-2-3-5-8-14)17-15-10-12-18-11-6-9-16(15)18/h13-17H,2-12H2,1H3/t13-,15?,16?/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82852806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).