N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide

C7H14N2 — CID 130253306

IUPACN-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C(C)C
InChIInChI=1S/C7H14N2/c1-4-5-9(6-8)7(2)3/h4-8H,1-3H3/b5-4-,8-6+
InChIKeyPSFJXDWWZZLWDN-GSGSLZOQSA-N
MW126.20 g/mol
LogP1.84
Rot. Bonds3

About N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide

N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 130253306) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID130253306
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C(C)C
InChIInChI=1S/C7H14N2/c1-4-5-9(6-8)7(2)3/h4-8H,1-3H3/b5-4-,8-6+
InChIKeyPSFJXDWWZZLWDN-GSGSLZOQSA-N
XLogP1.84
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide (CID 130253306) is N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide is [H]/N=C/N(/C=C\C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is PSFJXDWWZZLWDN-GSGSLZOQSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-9(6-8)7(2)3/h4-8H,1-3H3/b5-4-,8-6+.
What are the key properties of N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide?
N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 130253306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).