N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide

C10H20N2 — CID 134368296

IUPACN'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide
SMILESC/C=C/CC(C)/N=C(/N)C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-9(4)12-10(11)8(2)3/h5-6,8-9H,7H2,1-4H3,(H2,11,12)/b6-5+
InChIKeyWAZYXFJISFFLOC-AATRIKPKSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds4

About N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide

N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide (PubChem CID 134368296) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide
PubChem CID134368296
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide
SMILESC/C=C/CC(C)/N=C(/N)C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-9(4)12-10(11)8(2)3/h5-6,8-9H,7H2,1-4H3,(H2,11,12)/b6-5+
InChIKeyWAZYXFJISFFLOC-AATRIKPKSA-N
XLogP2.35
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 ≤ 52.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[(3S)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]propanimidamide
CID 156149008
(2R)-2-[(Z)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072761
(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072786
N'-[(Z)-6-amino-6-methylhept-3-enyl]ethanimidamide
CID 59906751
2-methyl-N'-propan-2-yloct-4-enimidamide
CID 123862547
(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide
CID 134286810
(Z)-2-methylimino-N'-propylpent-3-enimidamide
CID 134480022
N',2-dimethylpent-3-enimidamide
CID 135213830
(E)-2-methyl-N'-propan-2-ylhex-4-enimidamide
CID 138624852
(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide
CID 139310002
(Z)-N'-ethenyl-3-methylhept-4-enimidamide
CID 139541814
ethane;N'-[(E)-hex-3-en-2-yl]ethanimidamide
CID 141872709

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide?
The IUPAC name of N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide (CID 134368296) is N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide is C/C=C/CC(C)/N=C(/N)C(C)C.
What is the InChIKey of N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide?
The InChIKey is WAZYXFJISFFLOC-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-7-9(4)12-10(11)8(2)3/h5-6,8-9H,7H2,1-4H3,(H2,11,12)/b6-5+.
What are the key properties of N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide?
N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide is sourced from PubChem (CID 134368296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).