(Z)-2-methylimino-N'-propylpent-3-enimidamide

C9H17N3 — CID 134480022

IUPAC(Z)-2-methylimino-N'-propylpent-3-enimidamide
SMILESC/C=C\C(=N/C)\C(N)=N\CCC
InChIInChI=1S/C9H17N3/c1-4-6-8(11-3)9(10)12-7-5-2/h4,6H,5,7H2,1-3H3,(H2,10,12)/b6-4-,11-8+
InChIKeyRBDCDZCYRIFYTF-XSMBNUTRSA-N
MW167.26 g/mol
LogP1.40
Rot. Bonds4

About (Z)-2-methylimino-N'-propylpent-3-enimidamide

(Z)-2-methylimino-N'-propylpent-3-enimidamide (PubChem CID 134480022) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-2-methylimino-N'-propylpent-3-enimidamide.

Molecular Properties

Compound Name(Z)-2-methylimino-N'-propylpent-3-enimidamide
PubChem CID134480022
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-2-methylimino-N'-propylpent-3-enimidamide
SMILESC/C=C\C(=N/C)\C(N)=N\CCC
InChIInChI=1S/C9H17N3/c1-4-6-8(11-3)9(10)12-7-5-2/h4,6H,5,7H2,1-3H3,(H2,10,12)/b6-4-,11-8+
InChIKeyRBDCDZCYRIFYTF-XSMBNUTRSA-N
XLogP1.40
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-chloro-N'-ethyl-2-methyliminohex-3-enimidamide
CID 91034353
2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine
CID 91452007
(E)-N'-ethylpent-3-enimidamide
CID 118519265
N-[(E)-hex-3-en-2-ylidene]ethanimidamide
CID 122691937
(Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide
CID 123261618
2-methylimino-N'-(2-methylpropyl)but-3-enimidamide
CID 123319320
(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide
CID 123439490
N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine
CID 123678450
N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide
CID 134368296
N'-methyl-N-[(Z)-pent-3-en-2-ylidene]ethanimidamide
CID 139455721
ethane;N'-[(E)-hex-3-en-2-yl]ethanimidamide
CID 141872709
ethane;(2Z,6Z)-5-N-methylocta-2,6-diene-4,5-diimine
CID 141989001

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylimino-N'-propylpent-3-enimidamide?
The IUPAC name of (Z)-2-methylimino-N'-propylpent-3-enimidamide (CID 134480022) is (Z)-2-methylimino-N'-propylpent-3-enimidamide.
What is the SMILES notation for (Z)-2-methylimino-N'-propylpent-3-enimidamide?
The canonical SMILES for (Z)-2-methylimino-N'-propylpent-3-enimidamide is C/C=C\C(=N/C)\C(N)=N\CCC.
What is the InChIKey of (Z)-2-methylimino-N'-propylpent-3-enimidamide?
The InChIKey is RBDCDZCYRIFYTF-XSMBNUTRSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6-8(11-3)9(10)12-7-5-2/h4,6H,5,7H2,1-3H3,(H2,10,12)/b6-4-,11-8+.
What are the key properties of (Z)-2-methylimino-N'-propylpent-3-enimidamide?
(Z)-2-methylimino-N'-propylpent-3-enimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylimino-N'-propylpent-3-enimidamide is sourced from PubChem (CID 134480022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).