N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine

C16H34N2 — CID 23435054

IUPACN'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine
SMILESC=CCNCCCNC(C)(C)CCCCCCC
InChIInChI=1S/C16H34N2/c1-5-7-8-9-10-12-16(3,4)18-15-11-14-17-13-6-2/h6,17-18H,2,5,7-15H2,1,3-4H3
InChIKeyDEYHOPNKCOVWFO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.88
Rot. Bonds13

About N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine

N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine (PubChem CID 23435054) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine
PubChem CID23435054
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine
SMILESC=CCNCCCNC(C)(C)CCCCCCC
InChIInChI=1S/C16H34N2/c1-5-7-8-9-10-12-16(3,4)18-15-11-14-17-13-6-2/h6,17-18H,2,5,7-15H2,1,3-4H3
InChIKeyDEYHOPNKCOVWFO-UHFFFAOYSA-N
XLogP3.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine?
The IUPAC name of N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine (CID 23435054) is N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine is C=CCNCCCNC(C)(C)CCCCCCC.
What is the InChIKey of N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine?
The InChIKey is DEYHOPNKCOVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-8-9-10-12-16(3,4)18-15-11-14-17-13-6-2/h6,17-18H,2,5,7-15H2,1,3-4H3.
What are the key properties of N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine?
N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.88, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylnonan-2-yl)-N-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 23435054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).