3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine

C18H32N2 — CID 79067400

IUPAC3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(N)Cc1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-6-18(7-2,20(8-3)9-4)17(19)14-16-12-10-11-15(5)13-16/h10-13,17H,6-9,14,19H2,1-5H3
InChIKeyOAAUJYFBIXGFQD-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.77
Rot. Bonds8

About 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine

3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine (PubChem CID 79067400) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine
PubChem CID79067400
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(N)Cc1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-6-18(7-2,20(8-3)9-4)17(19)14-16-12-10-11-15(5)13-16/h10-13,17H,6-9,14,19H2,1-5H3
InChIKeyOAAUJYFBIXGFQD-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine 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

1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 102857727
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 62007965
methyl 3-amino-2,2-dimethyl-4-(3-methylphenyl)butanoate
CID 54568880
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
2-amino-3-(3-methylphenyl)propanal
CID 82415099
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine (CID 79067400) is 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine is CCN(CC)C(CC)(CC)C(N)Cc1cccc(C)c1.
What is the InChIKey of 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine?
The InChIKey is OAAUJYFBIXGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-18(7-2,20(8-3)9-4)17(19)14-16-12-10-11-15(5)13-16/h10-13,17H,6-9,14,19H2,1-5H3.
What are the key properties of 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine?
3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine is sourced from PubChem (CID 79067400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).