(E)-1-N'-dodecylprop-1-ene-1,1-diamine

C15H32N2 — CID 87082536

IUPAC(E)-1-N'-dodecylprop-1-ene-1,1-diamine
SMILESC/C=C(\N)NCCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4,17H,3,5-14,16H2,1-2H3/b15-4+
InChIKeyMAGBSHUQXUWQKJ-SYZQJQIISA-N
MW240.43 g/mol
LogP4.32
Rot. Bonds12

About (E)-1-N'-dodecylprop-1-ene-1,1-diamine

(E)-1-N'-dodecylprop-1-ene-1,1-diamine (PubChem CID 87082536) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is (E)-1-N'-dodecylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N'-dodecylprop-1-ene-1,1-diamine
PubChem CID87082536
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name(E)-1-N'-dodecylprop-1-ene-1,1-diamine
SMILESC/C=C(\N)NCCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4,17H,3,5-14,16H2,1-2H3/b15-4+
InChIKeyMAGBSHUQXUWQKJ-SYZQJQIISA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.32
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

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1-amino-3-decylthiourea
CID 4614128
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22-(docosanoylamino)docosanamide
CID 90926402
N'-octylhexanediamide
CID 18377759
N'-hexylbut-2-enediamide
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(Z)-N'-decylbut-2-enediamide
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Frequently Asked Questions

What is the IUPAC name of (E)-1-N'-dodecylprop-1-ene-1,1-diamine?
The IUPAC name of (E)-1-N'-dodecylprop-1-ene-1,1-diamine (CID 87082536) is (E)-1-N'-dodecylprop-1-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N'-dodecylprop-1-ene-1,1-diamine?
The canonical SMILES for (E)-1-N'-dodecylprop-1-ene-1,1-diamine is C/C=C(\N)NCCCCCCCCCCCC.
What is the InChIKey of (E)-1-N'-dodecylprop-1-ene-1,1-diamine?
The InChIKey is MAGBSHUQXUWQKJ-SYZQJQIISA-N. The full InChI is InChI=1S/C15H32N2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4,17H,3,5-14,16H2,1-2H3/b15-4+.
What are the key properties of (E)-1-N'-dodecylprop-1-ene-1,1-diamine?
(E)-1-N'-dodecylprop-1-ene-1,1-diamine has a molecular weight of 240.43 g/mol, XLogP of 4.32, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-dodecylprop-1-ene-1,1-diamine is sourced from PubChem (CID 87082536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).