N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine

C14H24N2 — CID 116905510

IUPACN,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
SMILESCc1cccc(C(CC(C)CN)N(C)C)c1
InChIInChI=1S/C14H24N2/c1-11-6-5-7-13(8-11)14(16(3)4)9-12(2)10-15/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyBPPADVNHXRJRCW-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.58
Rot. Bonds5

About N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine

N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine (PubChem CID 116905510) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
PubChem CID116905510
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
SMILESCc1cccc(C(CC(C)CN)N(C)C)c1
InChIInChI=1S/C14H24N2/c1-11-6-5-7-13(8-11)14(16(3)4)9-12(2)10-15/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyBPPADVNHXRJRCW-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-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-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
CID 116905466
1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905440
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116905443
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905470

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine?
The IUPAC name of N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine (CID 116905510) is N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine is Cc1cccc(C(CC(C)CN)N(C)C)c1.
What is the InChIKey of N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine?
The InChIKey is BPPADVNHXRJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-5-7-13(8-11)14(16(3)4)9-12(2)10-15/h5-8,12,14H,9-10,15H2,1-4H3.
What are the key properties of N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine?
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116905510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).