N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine

C14H27N — CID 79863729

IUPACN-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC12CCCC2(C)C
InChIInChI=1S/C14H27N/c1-11(2)9-15-10-12-8-14(12)7-5-6-13(14,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyLTIKLKASVIUGDS-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.45
Rot. Bonds4

About N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine

N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 79863729) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID79863729
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC12CCCC2(C)C
InChIInChI=1S/C14H27N/c1-11(2)9-15-10-12-8-14(12)7-5-6-13(14,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyLTIKLKASVIUGDS-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(spiro[2.6]nonan-2-ylmethyl)propan-1-amine
CID 62714784
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]-2-methylpropan-1-amine
CID 62712645
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
2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine
CID 106664101
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-[(5,5-dioxo-5λ6-thiaspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 63924260
N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine
CID 130555268
2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
CID 81031261
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine
CID 116536126

Frequently Asked Questions

What is the IUPAC name of N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine (CID 79863729) is N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CC12CCCC2(C)C.
What is the InChIKey of N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is LTIKLKASVIUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)9-15-10-12-8-14(12)7-5-6-13(14,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine?
N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79863729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).