N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine

C14H24N2 — CID 116904978

IUPACN,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(C(N(C)C)C(C)(C)CN)c1
InChIInChI=1S/C14H24N2/c1-11-7-6-8-12(9-11)13(16(4)5)14(2,3)10-15/h6-9,13H,10,15H2,1-5H3
InChIKeyLXGJOAXDXNLOAP-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.58
Rot. Bonds4

About N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine

N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine (PubChem CID 116904978) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine
PubChem CID116904978
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(C(N(C)C)C(C)(C)CN)c1
InChIInChI=1S/C14H24N2/c1-11-7-6-8-12(9-11)13(16(4)5)14(2,3)10-15/h6-9,13H,10,15H2,1-5H3
InChIKeyLXGJOAXDXNLOAP-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-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-(2,4-dimethylphenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 116904924
methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 116910352
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
CID 79016159
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
4-(3-methylphenyl)pentan-2-amine
CID 64719404

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine (CID 116904978) is N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine is Cc1cccc(C(N(C)C)C(C)(C)CN)c1.
What is the InChIKey of N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is LXGJOAXDXNLOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-7-6-8-12(9-11)13(16(4)5)14(2,3)10-15/h6-9,13H,10,15H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116904978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).