N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide

C11H22N2 — CID 87690615

IUPACN-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide
SMILESCCC=CN(/C=N/C(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-13(11(4)5)9-12-10(2)3/h7-11H,6H2,1-5H3/b8-7?,12-9+
InChIKeyCGJMNFIHRMRGID-RNUTYLDYSA-N
MW182.31 g/mol
LogP3.06
Rot. Bonds5

About N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide

N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide (PubChem CID 87690615) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide.

Molecular Properties

Compound NameN-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide
PubChem CID87690615
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide
SMILESCCC=CN(/C=N/C(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-13(11(4)5)9-12-10(2)3/h7-11H,6H2,1-5H3/b8-7?,12-9+
InChIKeyCGJMNFIHRMRGID-RNUTYLDYSA-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

(E)-N-tert-Butyl-1-(3,4-dihydropyridin-1(2H)-yl)methanimine
CID 13283837
3,4-dimethyl-4H-pyrimidine
CID 20728183
1-Propan-2-yl-1-prop-2-enylimidazol-1-ium
CID 68867249
N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 89224815
3-ethyl-4-methyl-4H-pyrimidine
CID 89750397
4-ethyl-3-methyl-4H-pyrimidine
CID 89750424
N-ethyl-N-methyl-N'-[(Z)-prop-1-enyl]methanimidamide
CID 89952330
N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 89956699
N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 90338328
N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide
CID 90779514
3-Methyl-4,5-dihydro-1,3-diazepine
CID 91112762
4-tert-butyl-1-ethyl-4H-pyrimidine
CID 117837506

Frequently Asked Questions

What is the IUPAC name of N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide?
The IUPAC name of N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide (CID 87690615) is N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide.
What is the SMILES notation for N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide?
The canonical SMILES for N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide is CCC=CN(/C=N/C(C)C)C(C)C.
What is the InChIKey of N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide?
The InChIKey is CGJMNFIHRMRGID-RNUTYLDYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-8-13(11(4)5)9-12-10(2)3/h7-11H,6H2,1-5H3/b8-7?,12-9+.
What are the key properties of N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide?
N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide 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,N'-di(propan-2-yl)methanimidamide is sourced from PubChem (CID 87690615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).