N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide

C15H30N2O — CID 63178188

IUPACN-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(CCOC)C(CC)CC
InChIInChI=1S/C15H30N2O/c1-4-14(5-2)17(11-12-18-3)15(16)13-9-7-6-8-10-13/h13-14,16H,4-12H2,1-3H3/b16-15+
InChIKeyJSOFLCIIAFKCRN-FOCLMDBBSA-N
MW254.42 g/mol
LogP3.68
Rot. Bonds7

About N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide

N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide (PubChem CID 63178188) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide
PubChem CID63178188
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(CCOC)C(CC)CC
InChIInChI=1S/C15H30N2O/c1-4-14(5-2)17(11-12-18-3)15(16)13-9-7-6-8-10-13/h13-14,16H,4-12H2,1-3H3/b16-15+
InChIKeyJSOFLCIIAFKCRN-FOCLMDBBSA-N
XLogP3.68
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
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

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentanecarboximidamide
CID 63177458
N-(2-methoxyethyl)-N-methylcyclopentanecarboximidamide
CID 63177944
N-butan-2-yl-N-ethylcyclopentanecarboximidamide
CID 63176258
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide
CID 63175585
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide
CID 166705160
(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 61163560
N-propan-2-yl-N-propylcyclopropanecarboximidamide
CID 63175891
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboximidamide
CID 63725872
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62611466

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide?
The IUPAC name of N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide (CID 63178188) is N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide?
The canonical SMILES for N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide is [H]/N=C(\C1CCCCC1)N(CCOC)C(CC)CC.
What is the InChIKey of N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide?
The InChIKey is JSOFLCIIAFKCRN-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-14(5-2)17(11-12-18-3)15(16)13-9-7-6-8-10-13/h13-14,16H,4-12H2,1-3H3/b16-15+.
What are the key properties of N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide?
N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide has a molecular weight of 254.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide is sourced from PubChem (CID 63178188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).