N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine

C14H28N2O — CID 55202503

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
SMILESCC1CCCC(CNC2CCOC2)(N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12-5-4-7-14(9-12,16(2)3)11-15-13-6-8-17-10-13/h12-13,15H,4-11H2,1-3H3
InChIKeyHGDIMOCNYAKYQI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine (PubChem CID 55202503) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
PubChem CID55202503
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
SMILESCC1CCCC(CNC2CCOC2)(N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12-5-4-7-14(9-12,16(2)3)11-15-13-6-8-17-10-13/h12-13,15H,4-11H2,1-3H3
InChIKeyHGDIMOCNYAKYQI-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
CID 61211546
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
CID 61210978
N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine
CID 131946632
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine
CID 65083602
N,N,3-trimethyl-1-[[(2-methylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65045533
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81327337
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302881

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine (CID 55202503) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine is CC1CCCC(CNC2CCOC2)(N(C)C)C1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine?
The InChIKey is HGDIMOCNYAKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-5-4-7-14(9-12,16(2)3)11-15-13-6-8-17-10-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine is sourced from PubChem (CID 55202503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).