N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C18H29NO — CID 107428026

IUPACN-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)CC1CCCC(NC2CCCc3occc32)C1
InChIInChI=1S/C18H29NO/c1-13(2)11-14-5-3-6-15(12-14)19-17-7-4-8-18-16(17)9-10-20-18/h9-10,13-15,17,19H,3-8,11-12H2,1-2H3
InChIKeyBUVQTIAYMIIDEX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.85
Rot. Bonds4

About N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 107428026) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID107428026
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)CC1CCCC(NC2CCCc3occc32)C1
InChIInChI=1S/C18H29NO/c1-13(2)11-14-5-3-6-15(12-14)19-17-7-4-8-18-16(17)9-10-20-18/h9-10,13-15,17,19H,3-8,11-12H2,1-2H3
InChIKeyBUVQTIAYMIIDEX-UHFFFAOYSA-N
XLogP4.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131794
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 82712185
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
CID 113315107
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-4-amine
CID 43208258
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepan-4-amine
CID 65074136
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054
N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 83229241
N-[3-(2-methylpropyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
CID 107849963
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one
CID 106184665

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 107428026) is N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(C)CC1CCCC(NC2CCCc3occc32)C1.
What is the InChIKey of N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is BUVQTIAYMIIDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)11-14-5-3-6-15(12-14)19-17-7-4-8-18-16(17)9-10-20-18/h9-10,13-15,17,19H,3-8,11-12H2,1-2H3.
What are the key properties of N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 107428026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).