N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

C18H36N2O — CID 62256935

IUPACN-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC1CCCO1)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C18H36N2O/c1-4-20(13-17-8-7-11-21-17)15-18(9-5-6-10-18)14-19-12-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyDMLXQBHEYKQZEC-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds9

About N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 62256935) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID62256935
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC1CCCO1)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C18H36N2O/c1-4-20(13-17-8-7-11-21-17)15-18(9-5-6-10-18)14-19-12-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyDMLXQBHEYKQZEC-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55055994
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62256933
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 107401614
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 65166397
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002423
N-[[3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 55056042
2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65497652
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-(oxan-2-yl)methanamine
CID 62256760
2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
CID 65164937
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (CID 62256935) is N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is CCN(CC1CCCO1)CC1(CNCC(C)C)CCCC1.
What is the InChIKey of N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DMLXQBHEYKQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-20(13-17-8-7-11-21-17)15-18(9-5-6-10-18)14-19-12-16(2)3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 296.50 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 N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62256935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).