2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine

C17H36N2O — CID 62611410

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
SMILESCCC(CC)N(CCOC)CC1CCCCCC1NC
InChIInChI=1S/C17H36N2O/c1-5-16(6-2)19(12-13-20-4)14-15-10-8-7-9-11-17(15)18-3/h15-18H,5-14H2,1-4H3
InChIKeyWKFVKHHSUYMTOK-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds9

About 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine (PubChem CID 62611410) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
PubChem CID62611410
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
SMILESCCC(CC)N(CCOC)CC1CCCCCC1NC
InChIInChI=1S/C17H36N2O/c1-5-16(6-2)19(12-13-20-4)14-15-10-8-7-9-11-17(15)18-3/h15-18H,5-14H2,1-4H3
InChIKeyWKFVKHHSUYMTOK-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55093831
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 62616551
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62611466
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562
2-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61382219
2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62616036
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779
5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855744
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62610001
3-[[2-(methylamino)cyclohexyl]methyl-propan-2-ylamino]propan-1-ol
CID 62614618
N-ethyl-2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62610665

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine (CID 62611410) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine is CCC(CC)N(CCOC)CC1CCCCCC1NC.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine?
The InChIKey is WKFVKHHSUYMTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-16(6-2)19(12-13-20-4)14-15-10-8-7-9-11-17(15)18-3/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 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]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62611410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).