1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine

C24H44N2 — CID 98160565

IUPAC1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
SMILESCCCCCCC[C@@H](C)Nc1ccc(N[C@H](C)CCCCCCC)cc1
InChIInChI=1S/C24H44N2/c1-5-7-9-11-13-15-21(3)25-23-17-19-24(20-18-23)26-22(4)16-14-12-10-8-6-2/h17-22,25-26H,5-16H2,1-4H3/t21-,22-/m1/s1
InChIKeyVDRDLXVBEGDBKO-FGZHOGPDSA-N
MW360.63 g/mol
LogP8.01
Rot. Bonds16

About 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine

1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine (PubChem CID 98160565) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
PubChem CID98160565
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
SMILESCCCCCCC[C@@H](C)Nc1ccc(N[C@H](C)CCCCCCC)cc1
InChIInChI=1S/C24H44N2/c1-5-7-9-11-13-15-21(3)25-23-17-19-24(20-18-23)26-22(4)16-14-12-10-8-6-2/h17-22,25-26H,5-16H2,1-4H3/t21-,22-/m1/s1
InChIKeyVDRDLXVBEGDBKO-FGZHOGPDSA-N
XLogP8.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-octan-2-ylaniline
CID 43129735
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
4-nitro-N-nonan-2-ylaniline
CID 43719788
4-[(dimethylamino)methyl]-N-heptan-2-ylaniline
CID 43747151
2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile
CID 43674379
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
6-bromo-N-nonan-2-ylpyridin-3-amine
CID 114051593
4-(difluoromethoxy)-N-heptan-2-ylaniline
CID 43099613
1,3-di(octan-2-yl)-1,3-bis[4-(octan-2-ylamino)phenyl]thiourea
CID 19832459

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine (CID 98160565) is 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine is CCCCCCC[C@@H](C)Nc1ccc(N[C@H](C)CCCCCCC)cc1.
What is the InChIKey of 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine?
The InChIKey is VDRDLXVBEGDBKO-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H44N2/c1-5-7-9-11-13-15-21(3)25-23-17-19-24(20-18-23)26-22(4)16-14-12-10-8-6-2/h17-22,25-26H,5-16H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine?
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine has a molecular weight of 360.63 g/mol, XLogP of 8.01, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 98160565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).