2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine

C16H27N3 — CID 43726465

IUPAC2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
SMILESCC(C)N1CCC(Nc2ccccc2N(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13(2)19-11-9-14(10-12-19)17-15-7-5-6-8-16(15)18(3)4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyYAAIBGSYRIQXEY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.04
Rot. Bonds4

About 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine (PubChem CID 43726465) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
PubChem CID43726465
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
SMILESCC(C)N1CCC(Nc2ccccc2N(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13(2)19-11-9-14(10-12-19)17-15-7-5-6-8-16(15)18(3)4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyYAAIBGSYRIQXEY-UHFFFAOYSA-N
XLogP3.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43726415
1-propan-2-yl-N-(2-propylphenyl)piperidin-4-amine
CID 43687285
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
CID 89271155
CID 89271155
1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine
CID 60927104
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115904143
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzoic acid
CID 43737247

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine (CID 43726465) is 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine is CC(C)N1CCC(Nc2ccccc2N(C)C)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine?
The InChIKey is YAAIBGSYRIQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)19-11-9-14(10-12-19)17-15-7-5-6-8-16(15)18(3)4/h5-8,13-14,17H,9-12H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 43726465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).