N-(2-methylidenebutylidene)methanimidamide

C6H10N2 — CID 143879593

IUPACN-(2-methylidenebutylidene)methanimidamide
SMILES[H]/N=C/N=C/C(=C)CC
InChIInChI=1S/C6H10N2/c1-3-6(2)4-8-5-7/h4-5,7H,2-3H2,1H3/b7-5+,8-4+
InChIKeyPTWJMGRKEQITDV-JBVHCYJISA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds3

About N-(2-methylidenebutylidene)methanimidamide

N-(2-methylidenebutylidene)methanimidamide (PubChem CID 143879593) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-(2-methylidenebutylidene)methanimidamide.

Molecular Properties

Compound NameN-(2-methylidenebutylidene)methanimidamide
PubChem CID143879593
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-(2-methylidenebutylidene)methanimidamide
SMILES[H]/N=C/N=C/C(=C)CC
InChIInChI=1S/C6H10N2/c1-3-6(2)4-8-5-7/h4-5,7H,2-3H2,1H3/b7-5+,8-4+
InChIKeyPTWJMGRKEQITDV-JBVHCYJISA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
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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Related Compounds

(NZ)-N-(2-methylidenebutylidene)piperidine-1-carboximidamide
CID 143879645
N-methanimidoylpropanimidoyl chloride
CID 146526753
methyl N-methanimidoylpropanimidate
CID 167023162
3-methylidenepent-1-ene
CID 18850
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
N'-methanimidoyl-N,N-dimethylmethanimidamide
CID 154515557
ethane;N-ethylidene-N'-methanimidoylmethanimidamide;prop-1-ene
CID 144524018
N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine
CID 139551304
[(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene
CID 166783383
N-imino-N'-methanimidoylmethanimidamide
CID 123685574
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(1E,3Z)-2-ethenyl-3-(2-methylidenebutylideneamino)penta-1,3-diene-1-thiol
CID 143660704

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutylidene)methanimidamide?
The IUPAC name of N-(2-methylidenebutylidene)methanimidamide (CID 143879593) is N-(2-methylidenebutylidene)methanimidamide.
What is the SMILES notation for N-(2-methylidenebutylidene)methanimidamide?
The canonical SMILES for N-(2-methylidenebutylidene)methanimidamide is [H]/N=C/N=C/C(=C)CC.
What is the InChIKey of N-(2-methylidenebutylidene)methanimidamide?
The InChIKey is PTWJMGRKEQITDV-JBVHCYJISA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(2)4-8-5-7/h4-5,7H,2-3H2,1H3/b7-5+,8-4+.
What are the key properties of N-(2-methylidenebutylidene)methanimidamide?
N-(2-methylidenebutylidene)methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutylidene)methanimidamide is sourced from PubChem (CID 143879593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).