N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine

C20H31N — CID 65006722

IUPACN-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CC3(CCCCC3)C2)cc1
InChIInChI=1S/C20H31N/c1-16(2)21-15-20(18-9-7-17(3)8-10-18)13-19(14-20)11-5-4-6-12-19/h7-10,16,21H,4-6,11-15H2,1-3H3
InChIKeyGMLHQQBPBPDLJR-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.98
Rot. Bonds4

About N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine

N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine (PubChem CID 65006722) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
PubChem CID65006722
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CC3(CCCCC3)C2)cc1
InChIInChI=1S/C20H31N/c1-16(2)21-15-20(18-9-7-17(3)8-10-18)13-19(14-20)11-5-4-6-12-19/h7-10,16,21H,4-6,11-15H2,1-3H3
InChIKeyGMLHQQBPBPDLJR-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 80525541
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007341
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
1-[2-(4-chlorophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007343
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
CID 80523825
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine
CID 116662298
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine (CID 65006722) is N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine is Cc1ccc(C2(CNC(C)C)CC3(CCCCC3)C2)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine?
The InChIKey is GMLHQQBPBPDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16(2)21-15-20(18-9-7-17(3)8-10-18)13-19(14-20)11-5-4-6-12-19/h7-10,16,21H,4-6,11-15H2,1-3H3.
What are the key properties of N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine?
N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine has a molecular weight of 285.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65006722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).