2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C18H38N2O — CID 63493385

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(CC)N(CCOC)CC1CC(C(C)C)CCC1N
InChIInChI=1S/C18H38N2O/c1-6-17(7-2)20(10-11-21-5)13-16-12-15(14(3)4)8-9-18(16)19/h14-18H,6-13,19H2,1-5H3
InChIKeyNRRGVEBBRBGCNM-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.52
Rot. Bonds9

About 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63493385) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63493385
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(CC)N(CCOC)CC1CC(C(C)C)CCC1N
InChIInChI=1S/C18H38N2O/c1-6-17(7-2)20(10-11-21-5)13-16-12-15(14(3)4)8-9-18(16)19/h14-18H,6-13,19H2,1-5H3
InChIKeyNRRGVEBBRBGCNM-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62611466
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62611467
2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63481963
5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855744
2-N-methyl-2-N-pentan-3-yl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62701630
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55106257
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62611410
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
2-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704719
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63493385) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CCC(CC)N(CCOC)CC1CC(C(C)C)CCC1N.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is NRRGVEBBRBGCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-17(7-2)20(10-11-21-5)13-16-12-15(14(3)4)8-9-18(16)19/h14-18H,6-13,19H2,1-5H3.
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63493385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).