(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine

C15H25N — CID 171211984

IUPAC(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cccc(C(C)C)c1
InChIInChI=1S/C15H25N/c1-4-5-6-10-15(16)14-9-7-8-13(11-14)12(2)3/h7-9,11-12,15H,4-6,10,16H2,1-3H3/t15-/m1/s1
InChIKeyPVHQWSGDMFEQLD-OAHLLOKOSA-N
MW219.37 g/mol
LogP4.39
Rot. Bonds6

About (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine

(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine (PubChem CID 171211984) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
PubChem CID171211984
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cccc(C(C)C)c1
InChIInChI=1S/C15H25N/c1-4-5-6-10-15(16)14-9-7-8-13(11-14)12(2)3/h7-9,11-12,15H,4-6,10,16H2,1-3H3/t15-/m1/s1
InChIKeyPVHQWSGDMFEQLD-OAHLLOKOSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.39
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

(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
CID 171231590
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-bromophenyl)heptan-1-amine
CID 62602381
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine (CID 171211984) is (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine is CCCCC[C@@H](N)c1cccc(C(C)C)c1.
What is the InChIKey of (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine?
The InChIKey is PVHQWSGDMFEQLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-6-10-15(16)14-9-7-8-13(11-14)12(2)3/h7-9,11-12,15H,4-6,10,16H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine?
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-propan-2-ylphenyl)hexan-1-amine is sourced from PubChem (CID 171211984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).