(E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide

C15H28N2 — CID 12708997

IUPAC(E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N\C1CCCCC1)N(CC)CC
InChIInChI=1S/C15H28N2/c1-4-7-13-15(17(5-2)6-3)16-14-11-9-8-10-12-14/h4,7,14H,5-6,8-13H2,1-3H3/b7-4+,16-15+
InChIKeyHVWVNOUXJPWPLO-GLARZXSESA-N
MW236.40 g/mol
LogP4.03
Rot. Bonds5

About (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide

(E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide (PubChem CID 12708997) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide.

Molecular Properties

Compound Name(E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide
PubChem CID12708997
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N\C1CCCCC1)N(CC)CC
InChIInChI=1S/C15H28N2/c1-4-7-13-15(17(5-2)6-3)16-14-11-9-8-10-12-14/h4,7,14H,5-6,8-13H2,1-3H3/b7-4+,16-15+
InChIKeyHVWVNOUXJPWPLO-GLARZXSESA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.03
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
1-cyclohexyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56607994
N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56619013
1-methyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56620050
N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56625185
N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine
CID 56627937
N-butyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56629172
2-ethyl-N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56631950
N-ethyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56632499
N-cyclohexyl-N-methyl-3,4-dihydropyridin-2-amine
CID 57112228
1-(2,3,4,5-tetrahydropyridin-6-yl)-3,6-dihydro-2H-pyridine
CID 66883073
3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018206

Frequently Asked Questions

What is the IUPAC name of (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide?
The IUPAC name of (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide (CID 12708997) is (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide.
What is the SMILES notation for (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide?
The canonical SMILES for (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide is C/C=C/C/C(=N\C1CCCCC1)N(CC)CC.
What is the InChIKey of (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide?
The InChIKey is HVWVNOUXJPWPLO-GLARZXSESA-N. The full InChI is InChI=1S/C15H28N2/c1-4-7-13-15(17(5-2)6-3)16-14-11-9-8-10-12-14/h4,7,14H,5-6,8-13H2,1-3H3/b7-4+,16-15+.
What are the key properties of (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide?
(E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide has a molecular weight of 236.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-cyclohexyl-N,N-diethylpent-3-enimidamide is sourced from PubChem (CID 12708997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).