3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol

C16H32N2O — CID 79855728

IUPAC3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCCNC1C(CN(C)CC2CC(O)C2)CCC1(C)C
InChIInChI=1S/C16H32N2O/c1-5-17-15-13(6-7-16(15,2)3)11-18(4)10-12-8-14(19)9-12/h12-15,17,19H,5-11H2,1-4H3
InChIKeyFOIVAUXQJQHTKU-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.10
Rot. Bonds6

About 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol

3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol (PubChem CID 79855728) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol
PubChem CID79855728
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCCNC1C(CN(C)CC2CC(O)C2)CCC1(C)C
InChIInChI=1S/C16H32N2O/c1-5-17-15-13(6-7-16(15,2)3)11-18(4)10-12-8-14(19)9-12/h12-15,17,19H,5-11H2,1-4H3
InChIKeyFOIVAUXQJQHTKU-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855876
5-[[cyclopropylmethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855050
5-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79855110
N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866407
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-2-ol
CID 79855488
5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
CID 107204583
N-ethyl-2,2-dimethyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79866959
N-ethyl-2,2-dimethyl-5-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79856167

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol (CID 79855728) is 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol is CCNC1C(CN(C)CC2CC(O)C2)CCC1(C)C.
What is the InChIKey of 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is FOIVAUXQJQHTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-17-15-13(6-7-16(15,2)3)11-18(4)10-12-8-14(19)9-12/h12-15,17,19H,5-11H2,1-4H3.
What are the key properties of 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol?
3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 79855728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).