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

C10H20N2 — CID 90338328

IUPACN,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N(/C=N/C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-12(10(4)5)8-11-9(2)3/h6-10H,1-5H3/b7-6-,11-8+
InChIKeyJCAGYPMDRBWQDU-BQGCWICQSA-N
MW168.28 g/mol
LogP2.67
Rot. Bonds4

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

N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 90338328) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID90338328
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N(/C=N/C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-12(10(4)5)8-11-9(2)3/h6-10H,1-5H3/b7-6-,11-8+
InChIKeyJCAGYPMDRBWQDU-BQGCWICQSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
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,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide (CID 90338328) is N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\N(/C=N/C(C)C)C(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is JCAGYPMDRBWQDU-BQGCWICQSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-12(10(4)5)8-11-9(2)3/h6-10H,1-5H3/b7-6-,11-8+.
What are the key properties of N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide?
N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 90338328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).