N'-but-1-enyl-N-butyl-N-methylethanimidamide

C11H22N2 — CID 123895048

IUPACN'-but-1-enyl-N-butyl-N-methylethanimidamide
SMILESCCC=C/N=C(\C)N(C)CCCC
InChIInChI=1S/C11H22N2/c1-5-7-9-12-11(3)13(4)10-8-6-2/h7,9H,5-6,8,10H2,1-4H3/b9-7?,12-11+
InChIKeyAMSZFZXSSLTGMZ-KTTYRDBTSA-N
MW182.31 g/mol
LogP3.06
Rot. Bonds5

About N'-but-1-enyl-N-butyl-N-methylethanimidamide

N'-but-1-enyl-N-butyl-N-methylethanimidamide (PubChem CID 123895048) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-but-1-enyl-N-butyl-N-methylethanimidamide.

Molecular Properties

Compound NameN'-but-1-enyl-N-butyl-N-methylethanimidamide
PubChem CID123895048
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-but-1-enyl-N-butyl-N-methylethanimidamide
SMILESCCC=C/N=C(\C)N(C)CCCC
InChIInChI=1S/C11H22N2/c1-5-7-9-12-11(3)13(4)10-8-6-2/h7,9H,5-6,8,10H2,1-4H3/b9-7?,12-11+
InChIKeyAMSZFZXSSLTGMZ-KTTYRDBTSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.06
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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Related Compounds

N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
N,N-diethyl-2-methoxy-5H-1,3-diazepin-4-amine
CID 11159892
1,1,2-Tris(prop-2-enyl)imidazol-1-ium
CID 66670074
1-Ethenyl-2-prop-2-enyl-4,5-dihydroimidazole
CID 66693205
1,1,2,4-Tetrakis(prop-2-enyl)imidazol-1-ium
CID 66803283
1,1,2,4-Tetraethylimidazol-1-ium
CID 67303699
2-methyl-3-propyl-4H-pyrimidine
CID 68059140
1,1,2-Tris(prop-2-enyl)imidazol-1-ium chloride
CID 68571596
1-Butyl-1,2-dimethylimidazol-1-ium
CID 68720630
3,3-dimethyl-2-propyl-4H-pyrimidin-3-ium
CID 70223891
N,N-bis(prop-2-enyl)-3,4-dihydropyridin-2-amine
CID 70579189
N-methyl-N-pent-4-enyl-N'-prop-1-en-2-ylethanimidamide
CID 89192495

Frequently Asked Questions

What is the IUPAC name of N'-but-1-enyl-N-butyl-N-methylethanimidamide?
The IUPAC name of N'-but-1-enyl-N-butyl-N-methylethanimidamide (CID 123895048) is N'-but-1-enyl-N-butyl-N-methylethanimidamide.
What is the SMILES notation for N'-but-1-enyl-N-butyl-N-methylethanimidamide?
The canonical SMILES for N'-but-1-enyl-N-butyl-N-methylethanimidamide is CCC=C/N=C(\C)N(C)CCCC.
What is the InChIKey of N'-but-1-enyl-N-butyl-N-methylethanimidamide?
The InChIKey is AMSZFZXSSLTGMZ-KTTYRDBTSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-9-12-11(3)13(4)10-8-6-2/h7,9H,5-6,8,10H2,1-4H3/b9-7?,12-11+.
What are the key properties of N'-but-1-enyl-N-butyl-N-methylethanimidamide?
N'-but-1-enyl-N-butyl-N-methylethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-enyl-N-butyl-N-methylethanimidamide is sourced from PubChem (CID 123895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).