N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine

C18H38N2 — CID 173404714

IUPACN-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine
SMILESCCCCCCCCCCCCN(C)C=CCN(C)C
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-10-11-12-13-14-17-20(4)18-15-16-19(2)3/h15,18H,5-14,16-17H2,1-4H3
InChIKeyDONKZNSVPDVWBM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.91
Rot. Bonds14

About N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine

N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine (PubChem CID 173404714) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine
PubChem CID173404714
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine
SMILESCCCCCCCCCCCCN(C)C=CCN(C)C
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-10-11-12-13-14-17-20(4)18-15-16-19(2)3/h15,18H,5-14,16-17H2,1-4H3
InChIKeyDONKZNSVPDVWBM-UHFFFAOYSA-N
XLogP4.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 3085374
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N-methyl-N-oct-1-enylnon-2-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine?
The IUPAC name of N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine (CID 173404714) is N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine.
What is the SMILES notation for N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine?
The canonical SMILES for N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine is CCCCCCCCCCCCN(C)C=CCN(C)C.
What is the InChIKey of N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine?
The InChIKey is DONKZNSVPDVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-6-7-8-9-10-11-12-13-14-17-20(4)18-15-16-19(2)3/h15,18H,5-14,16-17H2,1-4H3.
What are the key properties of N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine?
N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N,N',N'-trimethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 173404714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).