N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine

C18H38N2O — CID 62260342

IUPACN-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
SMILESCCC(C)N(CCOC)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C18H38N2O/c1-6-17(4)20(12-13-21-5)15-18(14-19-16(2)3)10-8-7-9-11-18/h16-17,19H,6-15H2,1-5H3
InChIKeyUABCCTOYMULHFL-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.68
Rot. Bonds10

About N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine

N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine (PubChem CID 62260342) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
PubChem CID62260342
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
SMILESCCC(C)N(CCOC)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C18H38N2O/c1-6-17(4)20(12-13-21-5)15-18(14-19-16(2)3)10-8-7-9-11-18/h16-17,19H,6-15H2,1-5H3
InChIKeyUABCCTOYMULHFL-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine with MolForge

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Related Compounds

N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 82953013
1-methoxy-N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 62257644
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine
CID 62260320
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-[[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82941124
N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
CID 55164134
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine (CID 62260342) is N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine is CCC(C)N(CCOC)CC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine?
The InChIKey is UABCCTOYMULHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-17(4)20(12-13-21-5)15-18(14-19-16(2)3)10-8-7-9-11-18/h16-17,19H,6-15H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine?
N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine has a molecular weight of 298.51 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine is sourced from PubChem (CID 62260342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).