N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine

C15H32N2O — CID 54957909

IUPACN,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCCOC(C)C)(N(C)C)C1
InChIInChI=1S/C15H32N2O/c1-13(2)18-10-9-16-12-15(17(4)5)8-6-7-14(3)11-15/h13-14,16H,6-12H2,1-5H3
InChIKeyAKTGVITYYNNFRZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine (PubChem CID 54957909) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
PubChem CID54957909
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCCOC(C)C)(N(C)C)C1
InChIInChI=1S/C15H32N2O/c1-13(2)18-10-9-16-12-15(17(4)5)8-6-7-14(3)11-15/h13-14,16H,6-12H2,1-5H3
InChIKeyAKTGVITYYNNFRZ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,3-trimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-amine
CID 61490311
N,N,3-trimethyl-1-[(2-morpholin-4-ylethylamino)methyl]cyclohexan-1-amine
CID 61211177
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide
CID 77031819
1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112686327
N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
CID 63776047
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
ethyl 4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-3-hydroxybutanoate
CID 103243157
1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108
N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
CID 61211546

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine (CID 54957909) is N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine is CC1CCCC(CNCCOC(C)C)(N(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine?
The InChIKey is AKTGVITYYNNFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)18-10-9-16-12-15(17(4)5)8-6-7-14(3)11-15/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 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-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 54957909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).