N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide

C11H22N2 — CID 118100589

IUPACN-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide
SMILESCCCC(C)/C=N/C=N/CC(C)C
InChIInChI=1S/C11H22N2/c1-5-6-11(4)8-13-9-12-7-10(2)3/h8-11H,5-7H2,1-4H3/b12-9+,13-8+
InChIKeyRNTVLYMSPRVEMA-GHEQENTPSA-N
MW182.31 g/mol
LogP3.18
Rot. Bonds6

About N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide

N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide (PubChem CID 118100589) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide.

Molecular Properties

Compound NameN-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide
PubChem CID118100589
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide
SMILESCCCC(C)/C=N/C=N/CC(C)C
InChIInChI=1S/C11H22N2/c1-5-6-11(4)8-13-9-12-7-10(2)3/h8-11H,5-7H2,1-4H3/b12-9+,13-8+
InChIKeyRNTVLYMSPRVEMA-GHEQENTPSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.18
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

3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine
CID 11820414
potassium;hydride;2-methylpentanal
CID 173401246
2-methylpentanal;propanal
CID 23460116
2-methylpentane
CID 7892
(E)-N,4-dimethylhept-2-en-1-amine
CID 131243211
(Z)-4-methylhept-2-ene
CID 5352649
N-ethyl-N-methyl-N'-(2-methylpropyl)methanimidamide
CID 163957094
ethane;2-methylpentane
CID 143713716
azane;2-methylpentane
CID 18347292
azane;2-methylpentane
CID 87098569
2-methylpentane;hydroiodide
CID 160726714
(E)-3-methylhex-1-ene-1-thiol
CID 88973793

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide?
The IUPAC name of N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide (CID 118100589) is N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide.
What is the SMILES notation for N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide?
The canonical SMILES for N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide is CCCC(C)/C=N/C=N/CC(C)C.
What is the InChIKey of N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide?
The InChIKey is RNTVLYMSPRVEMA-GHEQENTPSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-6-11(4)8-13-9-12-7-10(2)3/h8-11H,5-7H2,1-4H3/b12-9+,13-8+.
What are the key properties of N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide?
N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide is sourced from PubChem (CID 118100589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).