1-N'-nonylethane-1,1-diamine

C11H26N2 — CID 141374358

IUPAC1-N'-nonylethane-1,1-diamine
SMILESCCCCCCCCCNC(C)N
InChIInChI=1S/C11H26N2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h11,13H,3-10,12H2,1-2H3
InChIKeyASOTUSBALURWGW-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.63
Rot. Bonds9

About 1-N'-nonylethane-1,1-diamine

1-N'-nonylethane-1,1-diamine (PubChem CID 141374358) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N'-nonylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-nonylethane-1,1-diamine
PubChem CID141374358
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N'-nonylethane-1,1-diamine
SMILESCCCCCCCCCNC(C)N
InChIInChI=1S/C11H26N2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h11,13H,3-10,12H2,1-2H3
InChIKeyASOTUSBALURWGW-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-pentylethane-1,1-diamine
CID 87708859
N"-octylmethanetriamine
CID 139788026
N-propan-2-ylicosan-1-amine
CID 87246132
1-N'-decylpropane-1,1-diamine
CID 19822794
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
N-(1-hydrazinylethyl)dodecan-1-amine
CID 175203643
1-N'-decylethane-1,1,2-triamine
CID 57125344
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
N-butan-2-ylundecan-1-amine
CID 151961423
(1S)-1-(hexylamino)ethanethiol
CID 142113099
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486

Frequently Asked Questions

What is the IUPAC name of 1-N'-nonylethane-1,1-diamine?
The IUPAC name of 1-N'-nonylethane-1,1-diamine (CID 141374358) is 1-N'-nonylethane-1,1-diamine.
What is the SMILES notation for 1-N'-nonylethane-1,1-diamine?
The canonical SMILES for 1-N'-nonylethane-1,1-diamine is CCCCCCCCCNC(C)N.
What is the InChIKey of 1-N'-nonylethane-1,1-diamine?
The InChIKey is ASOTUSBALURWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 1-N'-nonylethane-1,1-diamine?
1-N'-nonylethane-1,1-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-nonylethane-1,1-diamine is sourced from PubChem (CID 141374358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).