1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine

C17H30N2 — CID 115222369

IUPAC1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
SMILESCNC(C)(C)CN(C)Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H30N2/c1-13(2)15-9-8-14(3)16(10-15)11-19(7)12-17(4,5)18-6/h8-10,13,18H,11-12H2,1-7H3
InChIKeyFSJXWTFCKOADAR-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.55
Rot. Bonds6

About 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine

1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine (PubChem CID 115222369) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
PubChem CID115222369
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
SMILESCNC(C)(C)CN(C)Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H30N2/c1-13(2)15-9-8-14(3)16(10-15)11-19(7)12-17(4,5)18-6/h8-10,13,18H,11-12H2,1-7H3
InChIKeyFSJXWTFCKOADAR-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-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

N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
CID 115136280
2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115251583
1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 115207690
[methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]amino]methanethiol
CID 115228441
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196
1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115222338
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175799
1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine (CID 115222369) is 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine is CNC(C)(C)CN(C)Cc1cc(C(C)C)ccc1C.
What is the InChIKey of 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine?
The InChIKey is FSJXWTFCKOADAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)15-9-8-14(3)16(10-15)11-19(7)12-17(4,5)18-6/h8-10,13,18H,11-12H2,1-7H3.
What are the key properties of 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine?
1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115222369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).