N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

C15H32N2O — CID 62260034

IUPACN-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCOCCN(C)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C15H32N2O/c1-14(2)11-16-12-15(7-5-6-8-15)13-17(3)9-10-18-4/h14,16H,5-13H2,1-4H3
InChIKeyKZUPYOJFPAEISP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds9

About N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 62260034) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID62260034
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCOCCN(C)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C15H32N2O/c1-14(2)11-16-12-15(7-5-6-8-15)13-17(3)9-10-18-4/h14,16H,5-13H2,1-4H3
InChIKeyKZUPYOJFPAEISP-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (CID 62260034) is N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is COCCN(C)CC1(CNCC(C)C)CCCC1.
What is the InChIKey of N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KZUPYOJFPAEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2)11-16-12-15(7-5-6-8-15)13-17(3)9-10-18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62260034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).