N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine

C18H29N — CID 79598256

IUPACN-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine
SMILESCC(C)c1ccc(CC=CCCNC(C)(C)C)cc1
InChIInChI=1S/C18H29N/c1-15(2)17-12-10-16(11-13-17)9-7-6-8-14-19-18(3,4)5/h6-7,10-13,15,19H,8-9,14H2,1-5H3
InChIKeyWSNPARORENQLPG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.69
Rot. Bonds6

About N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine

N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine (PubChem CID 79598256) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine
PubChem CID79598256
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine
SMILESCC(C)c1ccc(CC=CCCNC(C)(C)C)cc1
InChIInChI=1S/C18H29N/c1-15(2)17-12-10-16(11-13-17)9-7-6-8-14-19-18(3,4)5/h6-7,10-13,15,19H,8-9,14H2,1-5H3
InChIKeyWSNPARORENQLPG-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305552
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79590324
N-tert-butylhex-3-en-1-amine
CID 112734327
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 79592046
5-(1-benzothiophen-3-yl)-N-tert-butylpent-3-en-1-amine
CID 79598250
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 107444712
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine (CID 79598256) is N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine is CC(C)c1ccc(CC=CCCNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine?
The InChIKey is WSNPARORENQLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15(2)17-12-10-16(11-13-17)9-7-6-8-14-19-18(3,4)5/h6-7,10-13,15,19H,8-9,14H2,1-5H3.
What are the key properties of N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine?
N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79598256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).