N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide

C10H20N2 — CID 170024189

IUPACN'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide
SMILESCC/C=C(/N=C(\C)N)C(C)CC
InChIInChI=1S/C10H20N2/c1-5-7-10(8(3)6-2)12-9(4)11/h7-8H,5-6H2,1-4H3,(H2,11,12)/b10-7+
InChIKeyVWGSRMLJBIOJMP-JXMROGBWSA-N
MW168.28 g/mol
LogP2.70
Rot. Bonds4

About N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide

N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide (PubChem CID 170024189) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide
PubChem CID170024189
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide
SMILESCC/C=C(/N=C(\C)N)C(C)CC
InChIInChI=1S/C10H20N2/c1-5-7-10(8(3)6-2)12-9(4)11/h7-8H,5-6H2,1-4H3,(H2,11,12)/b10-7+
InChIKeyVWGSRMLJBIOJMP-JXMROGBWSA-N
XLogP2.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
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

4,6-Dimethyl-3,4-dihydropyridin-2-amine
CID 54495779
5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine
CID 58530774
N'-[[(3R)-3-methylcyclopenten-1-yl]iminomethyl]ethanimidamide
CID 68243020
N'-[(E)-hex-2-en-2-yl]ethanimidamide
CID 117998023
6-Methyl-3,4-dihydropyridin-2-amine
CID 123273858
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
4-ethyl-2,5-dimethyl-4H-azepin-7-amine
CID 123748203
N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
CID 126735392
N'-[(Z)-hex-2-en-3-yl]-2-methylbutanimidamide
CID 132186698
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
CID 135257456
N'-[(Z)-oct-2-en-3-yl]ethanimidamide
CID 138509627
N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide
CID 138719539

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide?
The IUPAC name of N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide (CID 170024189) is N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide.
What is the SMILES notation for N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide?
The canonical SMILES for N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide is CC/C=C(/N=C(\C)N)C(C)CC.
What is the InChIKey of N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide?
The InChIKey is VWGSRMLJBIOJMP-JXMROGBWSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-7-10(8(3)6-2)12-9(4)11/h7-8H,5-6H2,1-4H3,(H2,11,12)/b10-7+.
What are the key properties of N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide?
N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide is sourced from PubChem (CID 170024189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).