1-(4-propan-2-ylphenyl)pent-4-en-2-amine

C14H21N — CID 116660393

IUPAC1-(4-propan-2-ylphenyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21N/c1-4-5-14(15)10-12-6-8-13(9-7-12)11(2)3/h4,6-9,11,14H,1,5,10,15H2,2-3H3
InChIKeyRKXYEBMARKFCSE-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)pent-4-en-2-amine

1-(4-propan-2-ylphenyl)pent-4-en-2-amine (PubChem CID 116660393) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)pent-4-en-2-amine
PubChem CID116660393
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(4-propan-2-ylphenyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21N/c1-4-5-14(15)10-12-6-8-13(9-7-12)11(2)3/h4,6-9,11,14H,1,5,10,15H2,2-3H3
InChIKeyRKXYEBMARKFCSE-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylphenyl)pent-4-en-2-ol
CID 116659906
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
CID 115844097
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene
CID 163568299
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)pent-4-en-2-amine?
The IUPAC name of 1-(4-propan-2-ylphenyl)pent-4-en-2-amine (CID 116660393) is 1-(4-propan-2-ylphenyl)pent-4-en-2-amine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)pent-4-en-2-amine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)pent-4-en-2-amine is C=CCC(N)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)pent-4-en-2-amine?
The InChIKey is RKXYEBMARKFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-5-14(15)10-12-6-8-13(9-7-12)11(2)3/h4,6-9,11,14H,1,5,10,15H2,2-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)pent-4-en-2-amine?
1-(4-propan-2-ylphenyl)pent-4-en-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)pent-4-en-2-amine is sourced from PubChem (CID 116660393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).