(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine

C15H23N — CID 171221408

IUPAC(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N/c1-5-6-7-14(16)12-8-10-13(11-9-12)15(2,3)4/h5,8-11,14H,1,6-7,16H2,2-4H3/t14-/m0/s1
InChIKeyXKZRUWYOHOHDNW-AWEZNQCLSA-N
MW217.36 g/mol
LogP3.95
Rot. Bonds4

About (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine

(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine (PubChem CID 171221408) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
PubChem CID171221408
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N/c1-5-6-7-14(16)12-8-10-13(11-9-12)15(2,3)4/h5,8-11,14H,1,6-7,16H2,2-4H3/t14-/m0/s1
InChIKeyXKZRUWYOHOHDNW-AWEZNQCLSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.95
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

(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
1-(4-tert-butylphenyl)but-3-en-1-amine
CID 112693451
(1R)-1-(4-tert-butylphenyl)but-3-en-1-amine;hydrochloride
CID 171201850
(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine?
The IUPAC name of (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine (CID 171221408) is (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine.
What is the SMILES notation for (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine?
The canonical SMILES for (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine is C=CCC[C@H](N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine?
The InChIKey is XKZRUWYOHOHDNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N/c1-5-6-7-14(16)12-8-10-13(11-9-12)15(2,3)4/h5,8-11,14H,1,6-7,16H2,2-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine?
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 171221408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).