2-N-nonyl-2-N-propylbenzene-1,2-diamine

C18H32N2 — CID 63532032

IUPAC2-N-nonyl-2-N-propylbenzene-1,2-diamine
SMILESCCCCCCCCCN(CCC)c1ccccc1N
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-9-12-16-20(15-4-2)18-14-11-10-13-17(18)19/h10-11,13-14H,3-9,12,15-16,19H2,1-2H3
InChIKeyRBRWXRSRANQNJQ-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.24
Rot. Bonds11

About 2-N-nonyl-2-N-propylbenzene-1,2-diamine

2-N-nonyl-2-N-propylbenzene-1,2-diamine (PubChem CID 63532032) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N-nonyl-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-nonyl-2-N-propylbenzene-1,2-diamine
PubChem CID63532032
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N-nonyl-2-N-propylbenzene-1,2-diamine
SMILESCCCCCCCCCN(CCC)c1ccccc1N
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-9-12-16-20(15-4-2)18-14-11-10-13-17(18)19/h10-11,13-14H,3-9,12,15-16,19H2,1-2H3
InChIKeyRBRWXRSRANQNJQ-UHFFFAOYSA-N
XLogP5.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
CID 103410200
2-(dioctadecylamino)phenol
CID 67178725
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-[amino-[[(N,2-diaminoanilino)methyl-octadecylamino]methyl]amino]aniline
CID 167065860
2-chloro-N,N-dihexylaniline
CID 139723528
4-methyl-1-N,1-N-dioctylbenzene-1,2-diamine
CID 155149115
2-(2-amino-N-propylanilino)acetonitrile
CID 63230761
2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
1-N,1-N-dipropylnaphthalene-1,5-diamine
CID 139621321
N,N-dihexyl-2-methoxyaniline
CID 59373144
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453

Frequently Asked Questions

What is the IUPAC name of 2-N-nonyl-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-nonyl-2-N-propylbenzene-1,2-diamine (CID 63532032) is 2-N-nonyl-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-nonyl-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-nonyl-2-N-propylbenzene-1,2-diamine is CCCCCCCCCN(CCC)c1ccccc1N.
What is the InChIKey of 2-N-nonyl-2-N-propylbenzene-1,2-diamine?
The InChIKey is RBRWXRSRANQNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-6-7-8-9-12-16-20(15-4-2)18-14-11-10-13-17(18)19/h10-11,13-14H,3-9,12,15-16,19H2,1-2H3.
What are the key properties of 2-N-nonyl-2-N-propylbenzene-1,2-diamine?
2-N-nonyl-2-N-propylbenzene-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-nonyl-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 63532032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).