N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide

C7H15N3 — CID 138725743

IUPACN-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide
SMILESC/C=N\N(/C=N/C)C(C)C
InChIInChI=1S/C7H15N3/c1-5-9-10(6-8-4)7(2)3/h5-7H,1-4H3/b8-6+,9-5-
InChIKeyVDNXDTPJERLQPA-JXCGNHFNSA-N
MW141.22 g/mol
LogP1.36
Rot. Bonds3

About N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide

N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide (PubChem CID 138725743) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide
PubChem CID138725743
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide
SMILESC/C=N\N(/C=N/C)C(C)C
InChIInChI=1S/C7H15N3/c1-5-9-10(6-8-4)7(2)3/h5-7H,1-4H3/b8-6+,9-5-
InChIKeyVDNXDTPJERLQPA-JXCGNHFNSA-N
XLogP1.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide (CID 138725743) is N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide is C/C=N\N(/C=N/C)C(C)C.
What is the InChIKey of N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide?
The InChIKey is VDNXDTPJERLQPA-JXCGNHFNSA-N. The full InChI is InChI=1S/C7H15N3/c1-5-9-10(6-8-4)7(2)3/h5-7H,1-4H3/b8-6+,9-5-.
What are the key properties of N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide?
N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide has a molecular weight of 141.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-N'-methyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 138725743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).