N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine

C15H30N2O — CID 61211546

IUPACN,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCC2CCOC2)(N(C)C)C1
InChIInChI=1S/C15H30N2O/c1-13-5-4-7-15(9-13,17(2)3)12-16-10-14-6-8-18-11-14/h13-14,16H,4-12H2,1-3H3
InChIKeyPXMPOCPSOKPNNL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 61211546) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
PubChem CID61211546
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCC2CCOC2)(N(C)C)C1
InChIInChI=1S/C15H30N2O/c1-13-5-4-7-15(9-13,17(2)3)12-16-10-14-6-8-18-11-14/h13-14,16H,4-12H2,1-3H3
InChIKeyPXMPOCPSOKPNNL-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
CID 55202503
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
N,N,3-trimethyl-1-[(2-morpholin-4-ylethylamino)methyl]cyclohexan-1-amine
CID 61211177
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide
CID 61212680
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
CID 54957909
tert-butyl 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]acetate
CID 61212863
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide
CID 77031819

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine (CID 61211546) is N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine is CC1CCCC(CNCC2CCOC2)(N(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is PXMPOCPSOKPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-5-4-7-15(9-13,17(2)3)12-16-10-14-6-8-18-11-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61211546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).