N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide

C14H25N3O2 — CID 80597766

IUPACN-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
SMILESCCC1CCC(N(C)C(=O)C2(C(N)=NO)CC2)CC1
InChIInChI=1S/C14H25N3O2/c1-3-10-4-6-11(7-5-10)17(2)13(18)14(8-9-14)12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyBSFUBTJHLQPEPJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds4

About N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide

N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 80597766) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
PubChem CID80597766
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
SMILESCCC1CCC(N(C)C(=O)C2(C(N)=NO)CC2)CC1
InChIInChI=1S/C14H25N3O2/c1-3-10-4-6-11(7-5-10)17(2)13(18)14(8-9-14)12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyBSFUBTJHLQPEPJ-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80597435
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 80596761
N-(1,1-dioxothiolan-3-yl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597376
1-(4-ethylcyclohexyl)-1-methylurea
CID 61449062
N-cyclopropyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919861
N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide
CID 80597158
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylcyclobutane-1-carboxamide
CID 80588442
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80596971
2-amino-N-(4-ethylcyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide
CID 82765636
1-cyano-N-(4-ethylcyclohexyl)-N-methylcyclopropane-1-carboxamide
CID 80598018

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide (CID 80597766) is N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide is CCC1CCC(N(C)C(=O)C2(C(N)=NO)CC2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is BSFUBTJHLQPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-10-4-6-11(7-5-10)17(2)13(18)14(8-9-14)12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide?
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 80597766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).