2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine

C16H32N2 — CID 62432597

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)N1CCCC2CCCCC21
InChIInChI=1S/C16H32N2/c1-4-15(12-17-13(2)3)18-11-7-9-14-8-5-6-10-16(14)18/h13-17H,4-12H2,1-3H3
InChIKeySYUQYTQYBJXPFP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 62432597) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID62432597
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)N1CCCC2CCCCC21
InChIInChI=1S/C16H32N2/c1-4-15(12-17-13(2)3)18-11-7-9-14-8-5-6-10-16(14)18/h13-17H,4-12H2,1-3H3
InChIKeySYUQYTQYBJXPFP-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine with MolForge

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Related Compounds

2-(2-cyclopentylpyrrolidin-1-yl)-N-ethylbutan-1-amine
CID 62431511
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine
CID 102728565
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine
CID 82753424
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpentan-3-amine
CID 102726022
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054886
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82747112
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentanimidamide
CID 43628265
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pentanimidamide
CID 102726631
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
CID 83055066
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine (CID 62432597) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is SYUQYTQYBJXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-15(12-17-13(2)3)18-11-7-9-14-8-5-6-10-16(14)18/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62432597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).