4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine

C16H25N — CID 116518274

IUPAC4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine
SMILESCC(C)(C)C(N)CCC1CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-16(2,3)15(17)10-9-13-11-14(13)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3
InChIKeyMGQWYYHXEFEOOO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.94
Rot. Bonds4

About 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine

4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine (PubChem CID 116518274) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine
PubChem CID116518274
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine
SMILESCC(C)(C)C(N)CCC1CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-16(2,3)15(17)10-9-13-11-14(13)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3
InChIKeyMGQWYYHXEFEOOO-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(2-phenylcyclopropyl)propan-1-amine
CID 116518273
[2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene
CID 116518364
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
1-(2-phenylcyclopropyl)pentan-3-one
CID 116518251
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880708
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine (CID 116518274) is 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine is CC(C)(C)C(N)CCC1CC1c1ccccc1.
What is the InChIKey of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?
The InChIKey is MGQWYYHXEFEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)15(17)10-9-13-11-14(13)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?
4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine has a molecular weight of 231.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine is sourced from PubChem (CID 116518274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).