2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine

C16H32N2 — CID 163133104

IUPAC2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine
SMILESCCCCC1NC2CCCCC2C(N)C1CCC
InChIInChI=1S/C16H32N2/c1-3-5-10-14-12(8-4-2)16(17)13-9-6-7-11-15(13)18-14/h12-16,18H,3-11,17H2,1-2H3
InChIKeySRHDGRXVZWARFU-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.45
Rot. Bonds5

About 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine

2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine (PubChem CID 163133104) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine.

Molecular Properties

Compound Name2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine
PubChem CID163133104
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine
SMILESCCCCC1NC2CCCCC2C(N)C1CCC
InChIInChI=1S/C16H32N2/c1-3-5-10-14-12(8-4-2)16(17)13-9-6-7-11-15(13)18-14/h12-16,18H,3-11,17H2,1-2H3
InChIKeySRHDGRXVZWARFU-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine with MolForge

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Related Compounds

9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 59963526
7-ethyl-6-azabicyclo[3.2.0]heptane
CID 153054846
N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide
CID 44889625
14-ethylbicyclo[10.2.0]tetradecan-13-amine
CID 81421785
3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine
CID 163165210
2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 163181241
9-propyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 12574118
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol
CID 163178155
2,4-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridin-9-amine
CID 163156045
1,3-dimethyl-2-propylcycloheptane
CID 123611013
1-butyl-4-propylcyclononane
CID 123467552

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine?
The IUPAC name of 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine (CID 163133104) is 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine.
What is the SMILES notation for 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine?
The canonical SMILES for 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine is CCCCC1NC2CCCCC2C(N)C1CCC.
What is the InChIKey of 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine?
The InChIKey is SRHDGRXVZWARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-5-10-14-12(8-4-2)16(17)13-9-6-7-11-15(13)18-14/h12-16,18H,3-11,17H2,1-2H3.
What are the key properties of 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine?
2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine is sourced from PubChem (CID 163133104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).