N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H28N2 — CID 82853657

IUPACN-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(C)CCCCNC1CCN2CCCC12
InChIInChI=1S/C14H28N2/c1-12(2)6-3-4-9-15-13-8-11-16-10-5-7-14(13)16/h12-15H,3-11H2,1-2H3
InChIKeyOUWJBGCIXZDGJB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds6

About N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853657) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853657
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(C)CCCCNC1CCN2CCCC12
InChIInChI=1S/C14H28N2/c1-12(2)6-3-4-9-15-13-8-11-16-10-5-7-14(13)16/h12-15H,3-11H2,1-2H3
InChIKeyOUWJBGCIXZDGJB-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol
CID 107151590
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853529
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
CID 62623237
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2,3-dimethylbutan-2-ol
CID 114492954
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2,2-dimethylhexanenitrile
CID 106709210
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
N-but-2-ynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62311737
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853110

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853657) is N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CC(C)CCCCNC1CCN2CCCC12.
What is the InChIKey of N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is OUWJBGCIXZDGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)6-3-4-9-15-13-8-11-16-10-5-7-14(13)16/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).