4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine

C16H25N3 — CID 65470253

IUPAC4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H25N3/c1-11-6-7-12(17)8-16(11)18-13-9-14-4-3-5-15(10-13)19(14)2/h6-8,13-15,18H,3-5,9-10,17H2,1-2H3
InChIKeyAHTJHKVLUGKRJN-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.00
Rot. Bonds2

About 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine

4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine (PubChem CID 65470253) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
PubChem CID65470253
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H25N3/c1-11-6-7-12(17)8-16(11)18-13-9-14-4-3-5-15(10-13)19(14)2/h6-8,13-15,18H,3-5,9-10,17H2,1-2H3
InChIKeyAHTJHKVLUGKRJN-UHFFFAOYSA-N
XLogP3.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65472351
3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65471399
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,2-diamine
CID 53302987
2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-2,6-diamine
CID 79882848
3-methyl-4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]benzoic acid
CID 65471841
3-N-(1,1-dioxothian-4-yl)-4-methylbenzene-1,3-diamine
CID 55091795
N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53302872
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
3-chloro-4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]benzonitrile
CID 65472772
2-(5-amino-2-methylanilino)cyclohexan-1-ol
CID 62590729

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine (CID 65470253) is 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine is Cc1ccc(N)cc1NC1CC2CCCC(C1)N2C.
What is the InChIKey of 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
The InChIKey is AHTJHKVLUGKRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-6-7-12(17)8-16(11)18-13-9-14-4-3-5-15(10-13)19(14)2/h6-8,13-15,18H,3-5,9-10,17H2,1-2H3.
What are the key properties of 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine has a molecular weight of 259.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 65470253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).