N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide

C13H26N2O — CID 121432265

IUPACN-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N(/C=N/CC(C)COC)CCCC
InChIInChI=1S/C13H26N2O/c1-5-7-9-15(8-6-2)12-14-10-13(3)11-16-4/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6-,14-12+
InChIKeyAKKVRLMTFZVVBD-FZYQHCDZSA-N
MW226.36 g/mol
LogP2.93
Rot. Bonds9

About N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide

N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 121432265) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID121432265
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N(/C=N/CC(C)COC)CCCC
InChIInChI=1S/C13H26N2O/c1-5-7-9-15(8-6-2)12-14-10-13(3)11-16-4/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6-,14-12+
InChIKeyAKKVRLMTFZVVBD-FZYQHCDZSA-N
XLogP2.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.93
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'}

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Related Compounds

1-methoxy-2-methyldecane
CID 13444249
1-methoxy-2,12-dimethyldocosane
CID 91752253
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590
N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 145189916
N-(methoxymethyl)-N-prop-1-enylpropan-1-amine
CID 150435878
methane;3-methoxyheptane;1-methoxy-2-methylhexane
CID 162176457
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
3-methoxy-2-methyl-N-propan-2-yl-N-propylpropan-1-amine
CID 144977242
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880
methane;1-methoxy-2-methylbutane
CID 159281556
1-methoxy-2-methyloctan-4-amine
CID 105125248
N'-(3-methoxy-2-methylpropyl)propanimidamide
CID 63177797

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide (CID 121432265) is N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\N(/C=N/CC(C)COC)CCCC.
What is the InChIKey of N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is AKKVRLMTFZVVBD-FZYQHCDZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-9-15(8-6-2)12-14-10-13(3)11-16-4/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6-,14-12+.
What are the key properties of N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide?
N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 226.36 g/mol, XLogP of 2.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 121432265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).