N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H25NO — CID 106661736

IUPACN-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC1CC(C)(C)CC1NC1CCCc2occc21
InChIInChI=1S/C16H25NO/c1-11-9-16(2,3)10-14(11)17-13-5-4-6-15-12(13)7-8-18-15/h7-8,11,13-14,17H,4-6,9-10H2,1-3H3
InChIKeyFWSGTLFETAVGRR-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.07
Rot. Bonds2

About N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 106661736) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID106661736
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC1CC(C)(C)CC1NC1CCCc2occc21
InChIInChI=1S/C16H25NO/c1-11-9-16(2,3)10-14(11)17-13-5-4-6-15-12(13)7-8-18-15/h7-8,11,13-14,17H,4-6,9-10H2,1-3H3
InChIKeyFWSGTLFETAVGRR-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4,4-trimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81321574
N-(2-methylcycloheptyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315213
N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107093786
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63421890
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466591
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
CID 113315107
N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43173501
N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43771922
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131794
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 106661736) is N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC1CC(C)(C)CC1NC1CCCc2occc21.
What is the InChIKey of N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is FWSGTLFETAVGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-9-16(2,3)10-14(11)17-13-5-4-6-15-12(13)7-8-18-15/h7-8,11,13-14,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 247.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 106661736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).