N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H28N2 — CID 43752336

IUPACN-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC(CCC)NC1CCN2CCCC12
InChIInChI=1S/C14H28N2/c1-3-6-12(7-4-2)15-13-9-11-16-10-5-8-14(13)16/h12-15H,3-11H2,1-2H3
InChIKeyILHOBCZLWBBOSX-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds6

About N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752336) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752336
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC(CCC)NC1CCN2CCCC12
InChIInChI=1S/C14H28N2/c1-3-6-12(7-4-2)15-13-9-11-16-10-5-8-14(13)16/h12-15H,3-11H2,1-2H3
InChIKeyILHOBCZLWBBOSX-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752179
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
N-(1-pyrrolidin-1-ylpropan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853044
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 63903096
N-butyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propanamide
CID 54967296
N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852806
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol
CID 106187583
N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 115716868
N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103781301
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
CID 103813871

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752336) is N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCC(CCC)NC1CCN2CCCC12.
What is the InChIKey of N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is ILHOBCZLWBBOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-6-12(7-4-2)15-13-9-11-16-10-5-8-14(13)16/h12-15H,3-11H2,1-2H3.
What are the key properties of N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).