N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine

C18H29N — CID 79607714

IUPACN-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H29N/c1-14(8-7-11-19-18(4,5)6)12-17-10-9-15(2)16(3)13-17/h8-10,13,19H,7,11-12H2,1-6H3
InChIKeyIKMSZXXEYXTDFF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.57
Rot. Bonds5

About N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine

N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine (PubChem CID 79607714) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine
PubChem CID79607714
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H29N/c1-14(8-7-11-19-18(4,5)6)12-17-10-9-15(2)16(3)13-17/h8-10,13,19H,7,11-12H2,1-6H3
InChIKeyIKMSZXXEYXTDFF-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.57
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-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
CID 79607891
(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine
CID 102864149
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
CID 79607279
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 116560222
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 107889142
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403975
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine?
The IUPAC name of N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine (CID 79607714) is N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine is CC(=CCCNC(C)(C)C)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine?
The InChIKey is IKMSZXXEYXTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(8-7-11-19-18(4,5)6)12-17-10-9-15(2)16(3)13-17/h8-10,13,19H,7,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine?
N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79607714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).