ethane;2-N-propylbenzene-1,2-diamine

C11H20N2 — CID 91196578

IUPACethane;2-N-propylbenzene-1,2-diamine
SMILESCC.CCCNc1ccccc1N
InChIInChI=1S/C9H14N2.C2H6/c1-2-7-11-9-6-4-3-5-8(9)10;1-2/h3-6,11H,2,7,10H2,1H3;1-2H3
InChIKeyDXYMQHFBRNIZFC-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.12
Rot. Bonds3

About ethane;2-N-propylbenzene-1,2-diamine

ethane;2-N-propylbenzene-1,2-diamine (PubChem CID 91196578) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Nameethane;2-N-propylbenzene-1,2-diamine
PubChem CID91196578
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;2-N-propylbenzene-1,2-diamine
SMILESCC.CCCNc1ccccc1N
InChIInChI=1S/C9H14N2.C2H6/c1-2-7-11-9-6-4-3-5-8(9)10;1-2/h3-6,11H,2,7,10H2,1H3;1-2H3
InChIKeyDXYMQHFBRNIZFC-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine;2-N-propylbenzene-1,2-diamine
CID 153331969
2-(2-aminoanilino)ethanethiol
CID 10773435
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
2-N-but-3-enylbenzene-1,2-diamine
CID 15062875
2-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63981409
N-[2-(propylamino)phenyl]hydroxylamine
CID 175227965
2-N-(4-amino-4-ethylhexyl)benzene-1,2-diamine;hydrochloride
CID 173205667
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
2-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 18334911
2-N-(2-diethoxyphosphorylethyl)benzene-1,2-diamine
CID 10730873
2-tert-butyl-N-propylaniline
CID 39238556

Frequently Asked Questions

What is the IUPAC name of ethane;2-N-propylbenzene-1,2-diamine?
The IUPAC name of ethane;2-N-propylbenzene-1,2-diamine (CID 91196578) is ethane;2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for ethane;2-N-propylbenzene-1,2-diamine?
The canonical SMILES for ethane;2-N-propylbenzene-1,2-diamine is CC.CCCNc1ccccc1N.
What is the InChIKey of ethane;2-N-propylbenzene-1,2-diamine?
The InChIKey is DXYMQHFBRNIZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-2-7-11-9-6-4-3-5-8(9)10;1-2/h3-6,11H,2,7,10H2,1H3;1-2H3.
What are the key properties of ethane;2-N-propylbenzene-1,2-diamine?
ethane;2-N-propylbenzene-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 91196578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).