2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine

C17H25N — CID 65008178

IUPAC2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1(c2ccccc2)CC2(CC2)C1
InChIInChI=1S/C17H25N/c1-15(2,3)18-13-17(11-16(12-17)9-10-16)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3
InChIKeyPUCRCCIZWBJPJX-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.89
Rot. Bonds3

About 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine

2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine (PubChem CID 65008178) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
PubChem CID65008178
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1(c2ccccc2)CC2(CC2)C1
InChIInChI=1S/C17H25N/c1-15(2,3)18-13-17(11-16(12-17)9-10-16)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3
InChIKeyPUCRCCIZWBJPJX-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008825
N-[[2-(4-bromophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methylpropan-2-amine
CID 65009342
N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65002677
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008450
N-[[2-(2-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65003123
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008669
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine (CID 65008178) is 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine is CC(C)(C)NCC1(c2ccccc2)CC2(CC2)C1.
What is the InChIKey of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
The InChIKey is PUCRCCIZWBJPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-15(2,3)18-13-17(11-16(12-17)9-10-16)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 65008178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).