2-nonyldecane-1,10-diamine

C19H42N2 — CID 18688104

IUPAC2-nonyldecane-1,10-diamine
SMILESCCCCCCCCCC(CN)CCCCCCCCN
InChIInChI=1S/C19H42N2/c1-2-3-4-5-6-9-12-15-19(18-21)16-13-10-7-8-11-14-17-20/h19H,2-18,20-21H2,1H3
InChIKeyRYONYLONAVARPB-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.39
Rot. Bonds17

About 2-nonyldecane-1,10-diamine

2-nonyldecane-1,10-diamine (PubChem CID 18688104) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-nonyldecane-1,10-diamine.

Molecular Properties

Compound Name2-nonyldecane-1,10-diamine
PubChem CID18688104
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name2-nonyldecane-1,10-diamine
SMILESCCCCCCCCCC(CN)CCCCCCCCN
InChIInChI=1S/C19H42N2/c1-2-3-4-5-6-9-12-15-19(18-21)16-13-10-7-8-11-14-17-20/h19H,2-18,20-21H2,1H3
InChIKeyRYONYLONAVARPB-UHFFFAOYSA-N
XLogP5.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.39
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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Frequently Asked Questions

What is the IUPAC name of 2-nonyldecane-1,10-diamine?
The IUPAC name of 2-nonyldecane-1,10-diamine (CID 18688104) is 2-nonyldecane-1,10-diamine.
What is the SMILES notation for 2-nonyldecane-1,10-diamine?
The canonical SMILES for 2-nonyldecane-1,10-diamine is CCCCCCCCCC(CN)CCCCCCCCN.
What is the InChIKey of 2-nonyldecane-1,10-diamine?
The InChIKey is RYONYLONAVARPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-2-3-4-5-6-9-12-15-19(18-21)16-13-10-7-8-11-14-17-20/h19H,2-18,20-21H2,1H3.
What are the key properties of 2-nonyldecane-1,10-diamine?
2-nonyldecane-1,10-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.39, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyldecane-1,10-diamine is sourced from PubChem (CID 18688104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).