(Z)-4-N-methylbut-1-ene-1,2,4-triamine

C5H13N3 — CID 129313260

IUPAC(Z)-4-N-methylbut-1-ene-1,2,4-triamine
SMILESCNCC/C(N)=C/N
InChIInChI=1S/C5H13N3/c1-8-3-2-5(7)4-6/h4,8H,2-3,6-7H2,1H3/b5-4-
InChIKeyKBKSZBAAKICBHQ-PLNGDYQASA-N
MW115.18 g/mol
LogP-0.65
Rot. Bonds3

About (Z)-4-N-methylbut-1-ene-1,2,4-triamine

(Z)-4-N-methylbut-1-ene-1,2,4-triamine (PubChem CID 129313260) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-4-N-methylbut-1-ene-1,2,4-triamine.

Molecular Properties

Compound Name(Z)-4-N-methylbut-1-ene-1,2,4-triamine
PubChem CID129313260
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name(Z)-4-N-methylbut-1-ene-1,2,4-triamine
SMILESCNCC/C(N)=C/N
InChIInChI=1S/C5H13N3/c1-8-3-2-5(7)4-6/h4,8H,2-3,6-7H2,1H3/b5-4-
InChIKeyKBKSZBAAKICBHQ-PLNGDYQASA-N
XLogP-0.65
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-methylbut-1-ene-1,2,4-triamine?
The IUPAC name of (Z)-4-N-methylbut-1-ene-1,2,4-triamine (CID 129313260) is (Z)-4-N-methylbut-1-ene-1,2,4-triamine.
What is the SMILES notation for (Z)-4-N-methylbut-1-ene-1,2,4-triamine?
The canonical SMILES for (Z)-4-N-methylbut-1-ene-1,2,4-triamine is CNCC/C(N)=C/N.
What is the InChIKey of (Z)-4-N-methylbut-1-ene-1,2,4-triamine?
The InChIKey is KBKSZBAAKICBHQ-PLNGDYQASA-N. The full InChI is InChI=1S/C5H13N3/c1-8-3-2-5(7)4-6/h4,8H,2-3,6-7H2,1H3/b5-4-.
What are the key properties of (Z)-4-N-methylbut-1-ene-1,2,4-triamine?
(Z)-4-N-methylbut-1-ene-1,2,4-triamine has a molecular weight of 115.18 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-methylbut-1-ene-1,2,4-triamine is sourced from PubChem (CID 129313260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).