N'-[1-(cyclopentylamino)ethenyl]ethanimidamide

C9H17N3 — CID 163607178

IUPACN'-[1-(cyclopentylamino)ethenyl]ethanimidamide
SMILESC=C(N=C(C)N)NC1CCCC1
InChIInChI=1S/C9H17N3/c1-7(10)11-8(2)12-9-5-3-4-6-9/h9,12H,2-6H2,1H3,(H2,10,11)
InChIKeyHCTUMHHLTXWNHH-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.37
Rot. Bonds3

About N'-[1-(cyclopentylamino)ethenyl]ethanimidamide

N'-[1-(cyclopentylamino)ethenyl]ethanimidamide (PubChem CID 163607178) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[1-(cyclopentylamino)ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-(cyclopentylamino)ethenyl]ethanimidamide
PubChem CID163607178
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[1-(cyclopentylamino)ethenyl]ethanimidamide
SMILESC=C(N=C(C)N)NC1CCCC1
InChIInChI=1S/C9H17N3/c1-7(10)11-8(2)12-9-5-3-4-6-9/h9,12H,2-6H2,1H3,(H2,10,11)
InChIKeyHCTUMHHLTXWNHH-UHFFFAOYSA-N
XLogP1.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.37
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'}

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Related Compounds

2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
CID 143490405
N-prop-1-en-2-ylcyclobutanamine
CID 143509764
1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
1-cyclopentyl-3-prop-1-en-2-ylurea
CID 67565838
methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
CID 143541445
cyclohexylurea;methanamine
CID 142108304
[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate
CID 58684869
(2Z,4E)-5-chloro-3-N-cyclohexyl-5-(methylideneamino)penta-2,4-diene-2,3-diamine
CID 134251209
1-cyclohexyl-2-ethylguanidine
CID 18727697
N-buta-2,3-dien-2-ylcyclohexanamine
CID 176535461
cycloheptylthiourea
CID 13433274

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclopentylamino)ethenyl]ethanimidamide?
The IUPAC name of N'-[1-(cyclopentylamino)ethenyl]ethanimidamide (CID 163607178) is N'-[1-(cyclopentylamino)ethenyl]ethanimidamide.
What is the SMILES notation for N'-[1-(cyclopentylamino)ethenyl]ethanimidamide?
The canonical SMILES for N'-[1-(cyclopentylamino)ethenyl]ethanimidamide is C=C(N=C(C)N)NC1CCCC1.
What is the InChIKey of N'-[1-(cyclopentylamino)ethenyl]ethanimidamide?
The InChIKey is HCTUMHHLTXWNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(10)11-8(2)12-9-5-3-4-6-9/h9,12H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-[1-(cyclopentylamino)ethenyl]ethanimidamide?
N'-[1-(cyclopentylamino)ethenyl]ethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclopentylamino)ethenyl]ethanimidamide is sourced from PubChem (CID 163607178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).