(E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine

C16H31N3 — CID 155480052

IUPAC(E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine
SMILESC=CN(C)/C(=C/C(N)C1CCCCC1)NCC(C)C
InChIInChI=1S/C16H31N3/c1-5-19(4)16(18-12-13(2)3)11-15(17)14-9-7-6-8-10-14/h5,11,13-15,18H,1,6-10,12,17H2,2-4H3/b16-11+
InChIKeyXOHKNMYQABTXQP-LFIBNONCSA-N
MW265.45 g/mol
LogP3.06
Rot. Bonds7

About (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine

(E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine (PubChem CID 155480052) has the molecular formula C16H31N3 and a molecular weight of 265.45 g/mol. Its IUPAC name is (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine.

Molecular Properties

Compound Name(E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine
PubChem CID155480052
Molecular FormulaC16H31N3
Molecular Weight265.45 g/mol
Exact Mass265.25
IUPAC Name(E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine
SMILESC=CN(C)/C(=C/C(N)C1CCCCC1)NCC(C)C
InChIInChI=1S/C16H31N3/c1-5-19(4)16(18-12-13(2)3)11-15(17)14-9-7-6-8-10-14/h5,11,13-15,18H,1,6-10,12,17H2,2-4H3/b16-11+
InChIKeyXOHKNMYQABTXQP-LFIBNONCSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine?
The IUPAC name of (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine (CID 155480052) is (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine.
What is the SMILES notation for (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine?
The canonical SMILES for (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine is C=CN(C)/C(=C/C(N)C1CCCCC1)NCC(C)C.
What is the InChIKey of (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine?
The InChIKey is XOHKNMYQABTXQP-LFIBNONCSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-19(4)16(18-12-13(2)3)11-15(17)14-9-7-6-8-10-14/h5,11,13-15,18H,1,6-10,12,17H2,2-4H3/b16-11+.
What are the key properties of (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine?
(E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine has a molecular weight of 265.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine is sourced from PubChem (CID 155480052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).