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

C18H31N — CID 65304012

IUPACN-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
SMILESCc1ccc(CCC(C)CCNC(C)(C)C)cc1C
InChIInChI=1S/C18H31N/c1-14(11-12-19-18(4,5)6)7-9-17-10-8-15(2)16(3)13-17/h8,10,13-14,19H,7,9,11-12H2,1-6H3
InChIKeyDFIXIOGVYBPIIP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.65
Rot. Bonds6

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

N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine (PubChem CID 65304012) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
PubChem CID65304012
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
SMILESCc1ccc(CCC(C)CCNC(C)(C)C)cc1C
InChIInChI=1S/C18H31N/c1-14(11-12-19-18(4,5)6)7-9-17-10-8-15(2)16(3)13-17/h8,10,13-14,19H,7,9,11-12H2,1-6H3
InChIKeyDFIXIOGVYBPIIP-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
N-tert-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-amine
CID 65304418
N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine
CID 65304878
5-(3-bromo-4-ethoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 104662928
N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
CID 81158763
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene
CID 63460377
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
4-(3-chloro-4-methylpentyl)-1,2-dimethylbenzene
CID 63461673
N-tert-butyl-3-methyl-4-phenylbutan-1-amine
CID 81018858

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine (CID 65304012) is N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine is Cc1ccc(CCC(C)CCNC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine?
The InChIKey is DFIXIOGVYBPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-14(11-12-19-18(4,5)6)7-9-17-10-8-15(2)16(3)13-17/h8,10,13-14,19H,7,9,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine?
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.65, 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-(3,4-dimethylphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 65304012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).