N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide

C7H15N3 — CID 137396635

IUPACN'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide
SMILESC=NN(C)/C=N/C(C)CC
InChIInChI=1S/C7H15N3/c1-5-7(2)9-6-10(4)8-3/h6-7H,3,5H2,1-2,4H3/b9-6+
InChIKeyUDACKRZXMDKDAI-RMKNXTFCSA-N
MW141.22 g/mol
LogP1.36
Rot. Bonds4

About N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide

N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide (PubChem CID 137396635) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide
PubChem CID137396635
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide
SMILESC=NN(C)/C=N/C(C)CC
InChIInChI=1S/C7H15N3/c1-5-7(2)9-6-10(4)8-3/h6-7H,3,5H2,1-2,4H3/b9-6+
InChIKeyUDACKRZXMDKDAI-RMKNXTFCSA-N
XLogP1.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide?
The IUPAC name of N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide (CID 137396635) is N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide.
What is the SMILES notation for N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide?
The canonical SMILES for N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide is C=NN(C)/C=N/C(C)CC.
What is the InChIKey of N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide?
The InChIKey is UDACKRZXMDKDAI-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H15N3/c1-5-7(2)9-6-10(4)8-3/h6-7H,3,5H2,1-2,4H3/b9-6+.
What are the key properties of N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide?
N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide has a molecular weight of 141.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-methyl-N-(methylideneamino)methanimidamide is sourced from PubChem (CID 137396635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).