N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine

C18H36N2O — CID 107136596

IUPACN,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine
SMILESCCCNC(C1CCCOC1)C1(N(CC)CC)CCCC1
InChIInChI=1S/C18H36N2O/c1-4-13-19-17(16-10-9-14-21-15-16)18(11-7-8-12-18)20(5-2)6-3/h16-17,19H,4-15H2,1-3H3
InChIKeyVLJJVPWQAIFHCD-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds8

About N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine

N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine (PubChem CID 107136596) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine
PubChem CID107136596
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine
SMILESCCCNC(C1CCCOC1)C1(N(CC)CC)CCCC1
InChIInChI=1S/C18H36N2O/c1-4-13-19-17(16-10-9-14-21-15-16)18(11-7-8-12-18)20(5-2)6-3/h16-17,19H,4-15H2,1-3H3
InChIKeyVLJJVPWQAIFHCD-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[hydrazinyl(oxan-3-yl)methyl]cyclopentan-1-amine
CID 107139613
N,N-diethyl-1-[hydrazinyl(oxolan-3-yl)methyl]cyclopentan-1-amine
CID 105242602
N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
CID 79066378
N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 107136335
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 79057766
N-[(2,2-dimethylcyclopentyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107191939
N,N-dimethyl-1-[(4-methylcyclohexyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070623
2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
CID 107136389
N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine
CID 79069888
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine (CID 107136596) is N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine is CCCNC(C1CCCOC1)C1(N(CC)CC)CCCC1.
What is the InChIKey of N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine?
The InChIKey is VLJJVPWQAIFHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-13-19-17(16-10-9-14-21-15-16)18(11-7-8-12-18)20(5-2)6-3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine?
N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 107136596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).