3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine

C16H28N2 — CID 114281857

IUPAC3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
SMILESCC(C)C(CNc1cccc(N(C)C)c1)C(C)C
InChIInChI=1S/C16H28N2/c1-12(2)16(13(3)4)11-17-14-8-7-9-15(10-14)18(5)6/h7-10,12-13,16-17H,11H2,1-6H3
InChIKeyGRDSLEMTKCMUFH-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.09
Rot. Bonds6

About 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine (PubChem CID 114281857) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
PubChem CID114281857
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
SMILESCC(C)C(CNc1cccc(N(C)C)c1)C(C)C
InChIInChI=1S/C16H28N2/c1-12(2)16(13(3)4)11-17-14-8-7-9-15(10-14)18(5)6/h7-10,12-13,16-17H,11H2,1-6H3
InChIKeyGRDSLEMTKCMUFH-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-[3-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 78914085
methyl 2-bromo-3-[3-(dimethylamino)anilino]propanoate
CID 103260461
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 115377776
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
CID 103158165
1-N-[(E)-but-2-enyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 107899162
3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 115377786
3-N,3-N-dimethyl-1-N-pent-3-ynylbenzene-1,3-diamine
CID 104807429
3-N,3-N-dimethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,3-diamine
CID 113326394
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine (CID 114281857) is 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine is CC(C)C(CNc1cccc(N(C)C)c1)C(C)C.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine?
The InChIKey is GRDSLEMTKCMUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)16(13(3)4)11-17-14-8-7-9-15(10-14)18(5)6/h7-10,12-13,16-17H,11H2,1-6H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine is sourced from PubChem (CID 114281857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).