N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine

C17H29N — CID 63498667

IUPACN-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)13-18-12-6-7-15-8-10-16(11-9-15)17(3,4)5/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyHJOMGRVULBHWFV-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.16
Rot. Bonds6

About N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine

N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine (PubChem CID 63498667) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
PubChem CID63498667
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)13-18-12-6-7-15-8-10-16(11-9-15)17(3,4)5/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyHJOMGRVULBHWFV-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 66258059
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
2-methyl-N-[3-(4-nitrophenyl)propyl]propan-1-amine
CID 62549184
N-[3-(4-tert-butylphenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64653845
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
4-[2-(4-tert-butylphenyl)ethylamino]butanenitrile
CID 115231882
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
N'-[[4-[3-tert-butyl-5-[4-[[3-[3-(2-methylpropylamino)propylamino]propylamino]methyl]phenyl]phenyl]phenyl]methyl]-N-[3-(2-methylpropylamino)propyl]propane-1,3-diamine;hydrochloride
CID 175746815

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine (CID 63498667) is N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is HJOMGRVULBHWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)13-18-12-6-7-15-8-10-16(11-9-15)17(3,4)5/h8-11,14,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine?
N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63498667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).