2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine

C15H29N — CID 106664101

IUPAC2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CC12CC(C)(C)CC2C
InChIInChI=1S/C15H29N/c1-11(2)8-16-9-13-7-15(13)10-14(4,5)6-12(15)3/h11-13,16H,6-10H2,1-5H3
InChIKeyKTDJSVNAUDIAEV-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.69
Rot. Bonds4

About 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine

2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine (PubChem CID 106664101) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine
PubChem CID106664101
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CC12CC(C)(C)CC2C
InChIInChI=1S/C15H29N/c1-11(2)8-16-9-13-7-15(13)10-14(4,5)6-12(15)3/h11-13,16H,6-10H2,1-5H3
InChIKeyKTDJSVNAUDIAEV-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(2-methyl-2-propylcyclopropyl)methyl]propan-1-amine
CID 62714427
2-methyl-N-[[2-methyl-2-(3-methylbutyl)cyclopropyl]methyl]propan-1-amine
CID 62713179
5,5,7-trimethylspiro[2.4]heptan-2-amine
CID 106663995
N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine
CID 79863729
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]-2-methylpropan-1-amine
CID 62712645
2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
CID 81031261
2-methyl-N-(spiro[2.6]nonan-2-ylmethyl)propan-1-amine
CID 62714784
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine
CID 116536126
N-[(6-ethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 62712279
N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713891
N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81030587

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine (CID 106664101) is 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine is CC(C)CNCC1CC12CC(C)(C)CC2C.
What is the InChIKey of 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
The InChIKey is KTDJSVNAUDIAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11(2)8-16-9-13-7-15(13)10-14(4,5)6-12(15)3/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106664101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).