(E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine

C8H16N2 — CID 90243487

IUPAC(E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine
SMILESCNC(/C=C(\C)N)C1CC1
InChIInChI=1S/C8H16N2/c1-6(9)5-8(10-2)7-3-4-7/h5,7-8,10H,3-4,9H2,1-2H3/b6-5+
InChIKeyRYUNVMGMGUFLPV-AATRIKPKSA-N
MW140.23 g/mol
LogP0.85
Rot. Bonds3

About (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine

(E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine (PubChem CID 90243487) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine
PubChem CID90243487
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine
SMILESCNC(/C=C(\C)N)C1CC1
InChIInChI=1S/C8H16N2/c1-6(9)5-8(10-2)7-3-4-7/h5,7-8,10H,3-4,9H2,1-2H3/b6-5+
InChIKeyRYUNVMGMGUFLPV-AATRIKPKSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine?
The IUPAC name of (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine (CID 90243487) is (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine.
What is the SMILES notation for (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine?
The canonical SMILES for (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine is CNC(/C=C(\C)N)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine?
The InChIKey is RYUNVMGMGUFLPV-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(9)5-8(10-2)7-3-4-7/h5,7-8,10H,3-4,9H2,1-2H3/b6-5+.
What are the key properties of (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine?
(E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine is sourced from PubChem (CID 90243487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).