1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine

C14H28N2 — CID 163659155

IUPAC1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine
SMILESC=C(CNC)N/C(=C/C)C(C)C(C)C(C)C
InChIInChI=1S/C14H28N2/c1-8-14(16-11(4)9-15-7)13(6)12(5)10(2)3/h8,10,12-13,15-16H,4,9H2,1-3,5-7H3/b14-8+
InChIKeyISWRNCJLEHHBHG-RIYZIHGNSA-N
MW224.39 g/mol
LogP3.14
Rot. Bonds7

About 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine

1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine (PubChem CID 163659155) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine
PubChem CID163659155
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine
SMILESC=C(CNC)N/C(=C/C)C(C)C(C)C(C)C
InChIInChI=1S/C14H28N2/c1-8-14(16-11(4)9-15-7)13(6)12(5)10(2)3/h8,10,12-13,15-16H,4,9H2,1-3,5-7H3/b14-8+
InChIKeyISWRNCJLEHHBHG-RIYZIHGNSA-N
XLogP3.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine (CID 163659155) is 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine is C=C(CNC)N/C(=C/C)C(C)C(C)C(C)C.
What is the InChIKey of 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine?
The InChIKey is ISWRNCJLEHHBHG-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H28N2/c1-8-14(16-11(4)9-15-7)13(6)12(5)10(2)3/h8,10,12-13,15-16H,4,9H2,1-3,5-7H3/b14-8+.
What are the key properties of 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine?
1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-[(E)-4,5,6-trimethylhept-2-en-3-yl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 163659155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).