(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine

C7H15N3 — CID 166131199

IUPAC(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine
SMILES[H]/N=C/C(=C\N)CCCNC
InChIInChI=1S/C7H15N3/c1-10-4-2-3-7(5-8)6-9/h5-6,8,10H,2-4,9H2,1H3/b7-6-,8-5+
InChIKeyHHXHDYQBYWAZMB-WNXMRAAYSA-N
MW141.22 g/mol
LogP0.48
Rot. Bonds5

About (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine

(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine (PubChem CID 166131199) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine
PubChem CID166131199
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine
SMILES[H]/N=C/C(=C\N)CCCNC
InChIInChI=1S/C7H15N3/c1-10-4-2-3-7(5-8)6-9/h5-6,8,10H,2-4,9H2,1H3/b7-6-,8-5+
InChIKeyHHXHDYQBYWAZMB-WNXMRAAYSA-N
XLogP0.48
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine?
The IUPAC name of (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine (CID 166131199) is (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine.
What is the SMILES notation for (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine?
The canonical SMILES for (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine is [H]/N=C/C(=C\N)CCCNC.
What is the InChIKey of (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine?
The InChIKey is HHXHDYQBYWAZMB-WNXMRAAYSA-N. The full InChI is InChI=1S/C7H15N3/c1-10-4-2-3-7(5-8)6-9/h5-6,8,10H,2-4,9H2,1H3/b7-6-,8-5+.
What are the key properties of (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine?
(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine has a molecular weight of 141.22 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine is sourced from PubChem (CID 166131199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).