(Z)-2-N-methylbut-1-ene-1,2-diamine

C5H12N2 — CID 88582917

IUPAC(Z)-2-N-methylbut-1-ene-1,2-diamine
SMILESCC/C(=C/N)NC
InChIInChI=1S/C5H12N2/c1-3-5(4-6)7-2/h4,7H,3,6H2,1-2H3/b5-4-
InChIKeySNQCMZRLRNVXDH-PLNGDYQASA-N
MW100.16 g/mol
LogP0.42
Rot. Bonds2

About (Z)-2-N-methylbut-1-ene-1,2-diamine

(Z)-2-N-methylbut-1-ene-1,2-diamine (PubChem CID 88582917) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (Z)-2-N-methylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-methylbut-1-ene-1,2-diamine
PubChem CID88582917
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(Z)-2-N-methylbut-1-ene-1,2-diamine
SMILESCC/C(=C/N)NC
InChIInChI=1S/C5H12N2/c1-3-5(4-6)7-2/h4,7H,3,6H2,1-2H3/b5-4-
InChIKeySNQCMZRLRNVXDH-PLNGDYQASA-N
XLogP0.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-methylbut-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-methylbut-1-ene-1,2-diamine (CID 88582917) is (Z)-2-N-methylbut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-methylbut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-methylbut-1-ene-1,2-diamine is CC/C(=C/N)NC.
What is the InChIKey of (Z)-2-N-methylbut-1-ene-1,2-diamine?
The InChIKey is SNQCMZRLRNVXDH-PLNGDYQASA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5(4-6)7-2/h4,7H,3,6H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-N-methylbut-1-ene-1,2-diamine?
(Z)-2-N-methylbut-1-ene-1,2-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-methylbut-1-ene-1,2-diamine is sourced from PubChem (CID 88582917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).