N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine

C14H23NO — CID 115881484

IUPACN-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCC(C)(C)C2)o1
InChIInChI=1S/C14H23NO/c1-4-12-5-6-13(16-12)10-15-11-7-8-14(2,3)9-11/h5-6,11,15H,4,7-10H2,1-3H3
InChIKeyCNHRUEOTKBCRBH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.51
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 115881484) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID115881484
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCC(C)(C)C2)o1
InChIInChI=1S/C14H23NO/c1-4-12-5-6-13(16-12)10-15-11-7-8-14(2,3)9-11/h5-6,11,15H,4,7-10H2,1-3H3
InChIKeyCNHRUEOTKBCRBH-UHFFFAOYSA-N
XLogP3.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 75513016
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
CID 114544332
N-[(5-ethylfuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358487
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-2-fluoroaniline
CID 114547589
N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80706144
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
N-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 82731912
N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 80679484

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 115881484) is N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine is CCc1ccc(CNC2CCC(C)(C)C2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is CNHRUEOTKBCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12-5-6-13(16-12)10-15-11-7-8-14(2,3)9-11/h5-6,11,15H,4,7-10H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115881484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).