N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide

C17H33N3 — CID 123306153

IUPACN-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide
SMILESC=CC(C)CCC(C)/N=C(\C)N/C=C/NC(C)C(C)C
InChIInChI=1S/C17H33N3/c1-8-14(4)9-10-15(5)20-17(7)19-12-11-18-16(6)13(2)3/h8,11-16,18H,1,9-10H2,2-7H3,(H,19,20)/b12-11+
InChIKeyOBGMQVGVIDOJKM-VAWYXSNFSA-N
MW279.47 g/mol
LogP4.09
Rot. Bonds9

About N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide

N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide (PubChem CID 123306153) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide
PubChem CID123306153
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide
SMILESC=CC(C)CCC(C)/N=C(\C)N/C=C/NC(C)C(C)C
InChIInChI=1S/C17H33N3/c1-8-14(4)9-10-15(5)20-17(7)19-12-11-18-16(6)13(2)3/h8,11-16,18H,1,9-10H2,2-7H3,(H,19,20)/b12-11+
InChIKeyOBGMQVGVIDOJKM-VAWYXSNFSA-N
XLogP4.09
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide?
The IUPAC name of N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide (CID 123306153) is N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide.
What is the SMILES notation for N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide?
The canonical SMILES for N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide is C=CC(C)CCC(C)/N=C(\C)N/C=C/NC(C)C(C)C.
What is the InChIKey of N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide?
The InChIKey is OBGMQVGVIDOJKM-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H33N3/c1-8-14(4)9-10-15(5)20-17(7)19-12-11-18-16(6)13(2)3/h8,11-16,18H,1,9-10H2,2-7H3,(H,19,20)/b12-11+.
What are the key properties of N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide?
N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide has a molecular weight of 279.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-methylbutan-2-ylamino)ethenyl]-N'-(5-methylhept-6-en-2-yl)ethanimidamide is sourced from PubChem (CID 123306153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).