N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide

C14H26N2O — CID 63707933

IUPACN-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC1CCCOC1
InChIInChI=1S/C14H26N2O/c1-16(10-12-6-5-9-17-11-12)14(15)13-7-3-2-4-8-13/h12-13,15H,2-11H2,1H3/b15-14-
InChIKeyDOKQBANSVOCYNK-PFONDFGASA-N
MW238.37 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide

N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide (PubChem CID 63707933) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
PubChem CID63707933
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC1CCCOC1
InChIInChI=1S/C14H26N2O/c1-16(10-12-6-5-9-17-11-12)14(15)13-7-3-2-4-8-13/h12-13,15H,2-11H2,1H3/b15-14-
InChIKeyDOKQBANSVOCYNK-PFONDFGASA-N
XLogP2.90
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.90
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-methyl-N-(oxan-3-ylmethyl)ethanimidamide
CID 63707795
N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide
CID 63707794
N-(cyclopropylmethyl)-N-methylcyclopropanecarboximidamide
CID 63177015
N,N-diethyloxane-3-carboximidamide
CID 65333838
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide
CID 130942452
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide
CID 63177816
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboximidamide
CID 63725872
3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine
CID 104882236
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide (CID 63707933) is N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)CC1CCCOC1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
The InChIKey is DOKQBANSVOCYNK-PFONDFGASA-N. The full InChI is InChI=1S/C14H26N2O/c1-16(10-12-6-5-9-17-11-12)14(15)13-7-3-2-4-8-13/h12-13,15H,2-11H2,1H3/b15-14-.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide has a molecular weight of 238.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63707933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).