1-cyclopropyl-6,6-dimethylheptan-1-amine

C12H25N — CID 64504875

IUPAC1-cyclopropyl-6,6-dimethylheptan-1-amine
SMILESCC(C)(C)CCCCC(N)C1CC1
InChIInChI=1S/C12H25N/c1-12(2,3)9-5-4-6-11(13)10-7-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyZQQALWZDOQGRAK-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds5

About 1-cyclopropyl-6,6-dimethylheptan-1-amine

1-cyclopropyl-6,6-dimethylheptan-1-amine (PubChem CID 64504875) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclopropyl-6,6-dimethylheptan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-6,6-dimethylheptan-1-amine
PubChem CID64504875
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclopropyl-6,6-dimethylheptan-1-amine
SMILESCC(C)(C)CCCCC(N)C1CC1
InChIInChI=1S/C12H25N/c1-12(2,3)9-5-4-6-11(13)10-7-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyZQQALWZDOQGRAK-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Octodrine
CID 10982
1-Cyclohexyl-2,2-dimethylpropan-1-amine
CID 13739369
(S)-1,5-Dimethylhexylamine
CID 2734518
1-(1-Methylcyclohexyl)ethan-1-amine
CID 21421303
2,2-Dimethyloctan-3-amine
CID 43370476
4-Tert-butylcycloheptan-1-amine
CID 53659905
1-Cyclohexyl-3,3-dimethylbutan-2-amine
CID 54593638
4,4-Dimethylcycloheptan-1-amine
CID 55290733
5-Cyclopropylpentan-1-amine
CID 57230279
4-(2-Methylcyclopropyl)butan-1-amine
CID 123670245
7-Cyclopropylheptan-1-amine
CID 141131352
3-(2,2-dimethylpropyl)cyclopentan-1-amine,Mixtureofdiastereomers
CID 164775350

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,6-dimethylheptan-1-amine?
The IUPAC name of 1-cyclopropyl-6,6-dimethylheptan-1-amine (CID 64504875) is 1-cyclopropyl-6,6-dimethylheptan-1-amine.
What is the SMILES notation for 1-cyclopropyl-6,6-dimethylheptan-1-amine?
The canonical SMILES for 1-cyclopropyl-6,6-dimethylheptan-1-amine is CC(C)(C)CCCCC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-6,6-dimethylheptan-1-amine?
The InChIKey is ZQQALWZDOQGRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-12(2,3)9-5-4-6-11(13)10-7-8-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-6,6-dimethylheptan-1-amine?
1-cyclopropyl-6,6-dimethylheptan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,6-dimethylheptan-1-amine is sourced from PubChem (CID 64504875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).