1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine

C16H28N2 — CID 115203665

IUPAC1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13(17)7-6-12-18(5)15-10-8-14(9-11-15)16(2,3)4/h8-11,13H,6-7,12,17H2,1-5H3
InChIKeyICYLZOJSCSGBJO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.55
Rot. Bonds5

About 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine

1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine (PubChem CID 115203665) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
PubChem CID115203665
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13(17)7-6-12-18(5)15-10-8-14(9-11-15)16(2,3)4/h8-11,13H,6-7,12,17H2,1-5H3
InChIKeyICYLZOJSCSGBJO-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
CID 115203761
1-N-methyl-1-N-(4-methylsulfanylphenyl)butane-1,3-diamine
CID 115199187
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203766
4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260561
N'-(4-fluorophenyl)-N',2-dimethylpentane-1,5-diamine
CID 82682682
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
CID 115199230
6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine
CID 70535531
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine (CID 115203665) is 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine is CC(N)CCCN(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is ICYLZOJSCSGBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(17)7-6-12-18(5)15-10-8-14(9-11-15)16(2,3)4/h8-11,13H,6-7,12,17H2,1-5H3.
What are the key properties of 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine?
1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 115203665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).