N'-methanimidoylhept-6-enimidamide

C8H15N3 — CID 123424126

IUPACN'-methanimidoylhept-6-enimidamide
SMILES[H]/N=C/N=C(\N)CCCCC=C
InChIInChI=1S/C8H15N3/c1-2-3-4-5-6-8(10)11-7-9/h2,7H,1,3-6H2,(H3,9,10,11)
InChIKeyKSZGPXYOTKHPFW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.70
Rot. Bonds6

About N'-methanimidoylhept-6-enimidamide

N'-methanimidoylhept-6-enimidamide (PubChem CID 123424126) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-methanimidoylhept-6-enimidamide.

Molecular Properties

Compound NameN'-methanimidoylhept-6-enimidamide
PubChem CID123424126
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-methanimidoylhept-6-enimidamide
SMILES[H]/N=C/N=C(\N)CCCCC=C
InChIInChI=1S/C8H15N3/c1-2-3-4-5-6-8(10)11-7-9/h2,7H,1,3-6H2,(H3,9,10,11)
InChIKeyKSZGPXYOTKHPFW-UHFFFAOYSA-N
XLogP1.70
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-methanimidoylbut-3-enimidamide
CID 165138966
nonadec-18-enamide
CID 166991988
hex-5-en-1-imine
CID 57150072
9-methylideneicosa-1,19-diene
CID 173334659
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
tricosa-1,22-dien-12-one
CID 86210796
hex-5-enethioamide
CID 88640967
ethylideneurea;undec-10-enoic acid
CID 159342465
N-hept-6-enylidenehydroxylamine
CID 153435939
tritriacont-32-enoic acid
CID 54063641
hept-6-enoic acid;undec-10-enoic acid
CID 87675195

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoylhept-6-enimidamide?
The IUPAC name of N'-methanimidoylhept-6-enimidamide (CID 123424126) is N'-methanimidoylhept-6-enimidamide.
What is the SMILES notation for N'-methanimidoylhept-6-enimidamide?
The canonical SMILES for N'-methanimidoylhept-6-enimidamide is [H]/N=C/N=C(\N)CCCCC=C.
What is the InChIKey of N'-methanimidoylhept-6-enimidamide?
The InChIKey is KSZGPXYOTKHPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-4-5-6-8(10)11-7-9/h2,7H,1,3-6H2,(H3,9,10,11).
What are the key properties of N'-methanimidoylhept-6-enimidamide?
N'-methanimidoylhept-6-enimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoylhept-6-enimidamide is sourced from PubChem (CID 123424126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).