(2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide

C16H30N2 — CID 167480742

IUPAC(2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide
SMILESCC/C=C(CCC(C)CC)/C(=N/C)/N=C/CCC
InChIInChI=1S/C16H30N2/c1-6-9-13-18-16(17-5)15(10-7-2)12-11-14(4)8-3/h10,13-14H,6-9,11-12H2,1-5H3/b15-10+,17-16-,18-13+
InChIKeyAUQGOQORXPGXNB-VMXZQUIZSA-N
MW250.43 g/mol
LogP5.05
Rot. Bonds8

About (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide

(2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide (PubChem CID 167480742) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide.

Molecular Properties

Compound Name(2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide
PubChem CID167480742
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide
SMILESCC/C=C(CCC(C)CC)/C(=N/C)/N=C/CCC
InChIInChI=1S/C16H30N2/c1-6-9-13-18-16(17-5)15(10-7-2)12-11-14(4)8-3/h10,13-14H,6-9,11-12H2,1-5H3/b15-10+,17-16-,18-13+
InChIKeyAUQGOQORXPGXNB-VMXZQUIZSA-N
XLogP5.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.05
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

7,11-dimethyltridec-6-ene
CID 91025564
N-(4-methylhexylidene)hydroxylamine
CID 163845285
(E)-2,5,9-trimethylundec-4-ene
CID 157140245
2,3,8-trimethyldec-3-ene
CID 123648225
N-(5-methylheptan-2-ylidene)hydroxylamine
CID 139940320
8-methyldecane-4,5-dione
CID 141348222
8-methyldec-3-ene
CID 54115614
(E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine
CID 134567470
(3R,7R)-3,7-dimethylnonane
CID 42626759
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311
3-methylheptane;nickel
CID 158967838
(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol
CID 88943325

Frequently Asked Questions

What is the IUPAC name of (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide?
The IUPAC name of (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide (CID 167480742) is (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide.
What is the SMILES notation for (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide?
The canonical SMILES for (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide is CC/C=C(CCC(C)CC)/C(=N/C)/N=C/CCC.
What is the InChIKey of (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide?
The InChIKey is AUQGOQORXPGXNB-VMXZQUIZSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-9-13-18-16(17-5)15(10-7-2)12-11-14(4)8-3/h10,13-14H,6-9,11-12H2,1-5H3/b15-10+,17-16-,18-13+.
What are the key properties of (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide?
(2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide has a molecular weight of 250.43 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide is sourced from PubChem (CID 167480742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).