N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine

C18H35NO — CID 104993519

IUPACN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H35NO/c1-4-19-17(10-9-16-8-7-13-20-16)18(14-15(2)3)11-5-6-12-18/h15-17,19H,4-14H2,1-3H3
InChIKeyIJJAQBWXPHPBTH-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds8

About N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993519) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993519
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H35NO/c1-4-19-17(10-9-16-8-7-13-20-16)18(14-15(2)3)11-5-6-12-18/h15-17,19H,4-14H2,1-3H3
InChIKeyIJJAQBWXPHPBTH-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(2-methylpropyl)cyclopentyl]-4-(oxolan-2-yl)butyl]hydrazine
CID 105314113
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
CID 79061604
1-(1-ethylcyclopentyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993713
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 106830218
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
CID 115865177
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105012642
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine (CID 104993519) is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is IJJAQBWXPHPBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-19-17(10-9-16-8-7-13-20-16)18(14-15(2)3)11-5-6-12-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).