1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine

C16H28N2 — CID 5250269

IUPAC1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
SMILESCC(C)(C)CNc1ccccc1NCC(C)(C)C
InChIInChI=1S/C16H28N2/c1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6/h7-10,17-18H,11-12H2,1-6H3
InChIKeyWRDHINSURFUEKJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.60
Rot. Bonds4

About 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine

1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine (PubChem CID 5250269) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
PubChem CID5250269
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
SMILESCC(C)(C)CNc1ccccc1NCC(C)(C)C
InChIInChI=1S/C16H28N2/c1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6/h7-10,17-18H,11-12H2,1-6H3
InChIKeyWRDHINSURFUEKJ-UHFFFAOYSA-N
XLogP4.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
CID 61324135
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol
CID 59833377
N-(2,2-dimethylpropyl)-2-phosphanylpyridin-3-amine
CID 102519965
3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine (CID 5250269) is 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine is CC(C)(C)CNc1ccccc1NCC(C)(C)C.
What is the InChIKey of 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine?
The InChIKey is WRDHINSURFUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6/h7-10,17-18H,11-12H2,1-6H3.
What are the key properties of 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine?
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 5250269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).