(Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide

C7H13N3 — CID 163248339

IUPAC(Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide
SMILESN/C=C\C(N)=N\CC1CC1
InChIInChI=1S/C7H13N3/c8-4-3-7(9)10-5-6-1-2-6/h3-4,6H,1-2,5,8H2,(H2,9,10)/b4-3-
InChIKeyYHRDOUGUXLLQRF-ARJAWSKDSA-N
MW139.20 g/mol
LogP0.23
Rot. Bonds3

About (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide

(Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide (PubChem CID 163248339) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide
PubChem CID163248339
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide
SMILESN/C=C\C(N)=N\CC1CC1
InChIInChI=1S/C7H13N3/c8-4-3-7(9)10-5-6-1-2-6/h3-4,6H,1-2,5,8H2,(H2,9,10)/b4-3-
InChIKeyYHRDOUGUXLLQRF-ARJAWSKDSA-N
XLogP0.23
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide (CID 163248339) is (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide is N/C=C\C(N)=N\CC1CC1.
What is the InChIKey of (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide?
The InChIKey is YHRDOUGUXLLQRF-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13N3/c8-4-3-7(9)10-5-6-1-2-6/h3-4,6H,1-2,5,8H2,(H2,9,10)/b4-3-.
What are the key properties of (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide?
(Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-(cyclopropylmethyl)prop-2-enimidamide is sourced from PubChem (CID 163248339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).