N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide

C7H14ClN3O — CID 126677299

IUPACN-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide
SMILESCC(C)N(C)/C(CCl)=N\NC=O
InChIInChI=1S/C7H14ClN3O/c1-6(2)11(3)7(4-8)10-9-5-12/h5-6H,4H2,1-3H3,(H,9,12)/b10-7-
InChIKeyQHTUUKOXOPERJC-YFHOEESVSA-N
MW191.66 g/mol
LogP0.62
Rot. Bonds4

About N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide

N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide (PubChem CID 126677299) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide.

Molecular Properties

Compound NameN-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide
PubChem CID126677299
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC NameN-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide
SMILESCC(C)N(C)/C(CCl)=N\NC=O
InChIInChI=1S/C7H14ClN3O/c1-6(2)11(3)7(4-8)10-9-5-12/h5-6H,4H2,1-3H3,(H,9,12)/b10-7-
InChIKeyQHTUUKOXOPERJC-YFHOEESVSA-N
XLogP0.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide?
The IUPAC name of N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide (CID 126677299) is N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide.
What is the SMILES notation for N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide?
The canonical SMILES for N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide is CC(C)N(C)/C(CCl)=N\NC=O.
What is the InChIKey of N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide?
The InChIKey is QHTUUKOXOPERJC-YFHOEESVSA-N. The full InChI is InChI=1S/C7H14ClN3O/c1-6(2)11(3)7(4-8)10-9-5-12/h5-6H,4H2,1-3H3,(H,9,12)/b10-7-.
What are the key properties of N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide?
N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide has a molecular weight of 191.66 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide is sourced from PubChem (CID 126677299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).