3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine

C16H25N — CID 115845595

IUPAC3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
SMILESCCCC(C)CC(N)C1CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-3-7-12(2)10-16(17)15-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14-16H,3,7,10-11,17H2,1-2H3
InChIKeyAQHZATGEJOFMME-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.94
Rot. Bonds6

About 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine

3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine (PubChem CID 115845595) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
PubChem CID115845595
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
SMILESCCCC(C)CC(N)C1CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-3-7-12(2)10-16(17)15-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14-16H,3,7,10-11,17H2,1-2H3
InChIKeyAQHZATGEJOFMME-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

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Related Compounds

3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
[2-(4-chloropentan-2-yl)cyclopropyl]benzene
CID 116518369
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
1-(2-phenylcyclopropyl)hex-5-en-1-amine
CID 104987040
2-methoxy-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 116718802

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine?
The IUPAC name of 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine (CID 115845595) is 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine?
The canonical SMILES for 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine is CCCC(C)CC(N)C1CC1c1ccccc1.
What is the InChIKey of 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine?
The InChIKey is AQHZATGEJOFMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-7-12(2)10-16(17)15-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14-16H,3,7,10-11,17H2,1-2H3.
What are the key properties of 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine?
3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine is sourced from PubChem (CID 115845595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).