N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine

C16H27N — CID 81018614

IUPACN-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
SMILESCc1ccc(CC(C)CCNC(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-13-6-8-15(9-7-13)12-14(2)10-11-17-16(3,4)5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyPDGWRFHASVRQIU-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.95
Rot. Bonds5

About N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine

N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine (PubChem CID 81018614) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
PubChem CID81018614
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
SMILESCc1ccc(CC(C)CCNC(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-13-6-8-15(9-7-13)12-14(2)10-11-17-16(3,4)5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyPDGWRFHASVRQIU-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-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

N-tert-butyl-3-methyl-4-phenylbutan-1-amine
CID 81018858
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine
CID 65304878
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81019029

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine (CID 81018614) is N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine is Cc1ccc(CC(C)CCNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine?
The InChIKey is PDGWRFHASVRQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13-6-8-15(9-7-13)12-14(2)10-11-17-16(3,4)5/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine?
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 81018614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).