N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine

C19H36N2 — CID 102728269

IUPACN-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H36N2/c1-3-12-19(2,14-20-17-10-11-17)15-21-13-6-8-16-7-4-5-9-18(16)21/h16-18,20H,3-15H2,1-2H3/t16-,18-,19?/m1/s1
InChIKeyIOVJURVSCKFZJG-SYUDBMKNSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds7

About N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine

N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine (PubChem CID 102728269) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine
PubChem CID102728269
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H36N2/c1-3-12-19(2,14-20-17-10-11-17)15-21-13-6-8-16-7-4-5-9-18(16)21/h16-18,20H,3-15H2,1-2H3/t16-,18-,19?/m1/s1
InChIKeyIOVJURVSCKFZJG-SYUDBMKNSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine (CID 102728269) is N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine is CCCC(C)(CNC1CC1)CN1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine?
The InChIKey is IOVJURVSCKFZJG-SYUDBMKNSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-12-19(2,14-20-17-10-11-17)15-21-13-6-8-16-7-4-5-9-18(16)21/h16-18,20H,3-15H2,1-2H3/t16-,18-,19?/m1/s1.
What are the key properties of N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine?
N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 102728269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).