(2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine

C16H25N — CID 70492562

IUPAC(2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine
SMILESCCCCC=C(C)c1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C16H25N/c1-4-5-6-7-13(2)16-10-8-15(9-11-16)12-14(3)17/h7-11,14H,4-6,12,17H2,1-3H3/t14-/m1/s1
InChIKeyUFGPHABQAAJUCG-CQSZACIVSA-N
MW231.38 g/mol
LogP4.17
Rot. Bonds6

About (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine

(2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine (PubChem CID 70492562) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine
PubChem CID70492562
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine
SMILESCCCCC=C(C)c1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C16H25N/c1-4-5-6-7-13(2)16-10-8-15(9-11-16)12-14(3)17/h7-11,14H,4-6,12,17H2,1-3H3/t14-/m1/s1
InChIKeyUFGPHABQAAJUCG-CQSZACIVSA-N
XLogP4.17
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 ≤ 54.17
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

[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
4-[(Z)-hex-2-en-2-yl]phenol
CID 68725737
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene
CID 163402477
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
ethyl 4-[4-(2-aminopropyl)phenyl]benzoate
CID 14368632
4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine (CID 70492562) is (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine is CCCCC=C(C)c1ccc(C[C@@H](C)N)cc1.
What is the InChIKey of (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine?
The InChIKey is UFGPHABQAAJUCG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N/c1-4-5-6-7-13(2)16-10-8-15(9-11-16)12-14(3)17/h7-11,14H,4-6,12,17H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine?
(2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 70492562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).