1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C18H32N2 — CID 43099857

IUPAC1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCc1ccc(C(C)NCC(CC(C)C)N(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-13(2)10-18(20(6)7)12-19-16(5)17-9-8-14(3)15(4)11-17/h8-9,11,13,16,18-19H,10,12H2,1-7H3
InChIKeyNTHOUTOUSRDMCV-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.93
Rot. Bonds7

About 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 43099857) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID43099857
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCc1ccc(C(C)NCC(CC(C)C)N(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-13(2)10-18(20(6)7)12-19-16(5)17-9-8-14(3)15(4)11-17/h8-9,11,13,16,18-19H,10,12H2,1-7H3
InChIKeyNTHOUTOUSRDMCV-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-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

5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
CID 107705372
1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43111554
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
2-[1-(3,4-dimethylphenyl)ethyl]-1,1-dimethylhydrazine
CID 83004020
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772
2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
CID 64993003
N-[1-(3,4-dimethylphenyl)ethyl]-2-prop-2-enoxypropan-1-amine
CID 114264126

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 43099857) is 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is Cc1ccc(C(C)NCC(CC(C)C)N(C)C)cc1C.
What is the InChIKey of 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is NTHOUTOUSRDMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(2)10-18(20(6)7)12-19-16(5)17-9-8-14(3)15(4)11-17/h8-9,11,13,16,18-19H,10,12H2,1-7H3.
What are the key properties of 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43099857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).