ethyl 3-(cyclohexylamino)propanimidate

C11H22N2O — CID 134890835

IUPACethyl 3-(cyclohexylamino)propanimidate
SMILES[H]/N=C(/CCNC1CCCCC1)OCC
InChIInChI=1S/C11H22N2O/c1-2-14-11(12)8-9-13-10-6-4-3-5-7-10/h10,12-13H,2-9H2,1H3/b12-11-
InChIKeyJQWNUQKNBVKYIY-QXMHVHEDSA-N
MW198.31 g/mol
LogP2.31
Rot. Bonds5

About ethyl 3-(cyclohexylamino)propanimidate

ethyl 3-(cyclohexylamino)propanimidate (PubChem CID 134890835) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethyl 3-(cyclohexylamino)propanimidate.

Molecular Properties

Compound Nameethyl 3-(cyclohexylamino)propanimidate
PubChem CID134890835
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethyl 3-(cyclohexylamino)propanimidate
SMILES[H]/N=C(/CCNC1CCCCC1)OCC
InChIInChI=1S/C11H22N2O/c1-2-14-11(12)8-9-13-10-6-4-3-5-7-10/h10,12-13H,2-9H2,1H3/b12-11-
InChIKeyJQWNUQKNBVKYIY-QXMHVHEDSA-N
XLogP2.31
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
(1R,2R)-N-(3-ethoxypropyl)-2-fluorocyclohexan-1-amine
CID 126847793
N-cyclohexyl-1-methoxypropane-1,3-diamine
CID 57238021
N-(4-methoxybutan-2-yl)cyclohexanamine
CID 61864356
4-N-(3-methoxypropyl)cyclohexane-1,4-diamine
CID 79724008
4-ethoxyimino-N-methylcyclohexan-1-amine
CID 88278293
3-methoxypropan-1-amine;N-methylcyclohexanamine
CID 142080700
N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen
CID 142143741
4-imino-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
CID 144419223
4-imino-N-(2-methoxyethyl)cyclohexan-1-amine
CID 144419239
N-(3-propan-2-yloxypropyl)cyclohexanamine
CID 15930903

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexylamino)propanimidate?
The IUPAC name of ethyl 3-(cyclohexylamino)propanimidate (CID 134890835) is ethyl 3-(cyclohexylamino)propanimidate.
What is the SMILES notation for ethyl 3-(cyclohexylamino)propanimidate?
The canonical SMILES for ethyl 3-(cyclohexylamino)propanimidate is [H]/N=C(/CCNC1CCCCC1)OCC.
What is the InChIKey of ethyl 3-(cyclohexylamino)propanimidate?
The InChIKey is JQWNUQKNBVKYIY-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-14-11(12)8-9-13-10-6-4-3-5-7-10/h10,12-13H,2-9H2,1H3/b12-11-.
What are the key properties of ethyl 3-(cyclohexylamino)propanimidate?
ethyl 3-(cyclohexylamino)propanimidate has a molecular weight of 198.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexylamino)propanimidate is sourced from PubChem (CID 134890835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).