4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine

C20H31N — CID 65020287

IUPAC4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H31N/c1-2-3-5-16-10-12-20(21,13-11-16)15-17-8-9-18-6-4-7-19(18)14-17/h8-9,14,16H,2-7,10-13,15,21H2,1H3
InChIKeyYISSOMVWPFOUJB-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.80
Rot. Bonds5

About 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine

4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine (PubChem CID 65020287) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
PubChem CID65020287
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H31N/c1-2-3-5-16-10-12-20(21,13-11-16)15-17-8-9-18-6-4-7-19(18)14-17/h8-9,14,16H,2-7,10-13,15,21H2,1H3
InChIKeyYISSOMVWPFOUJB-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086277
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
CID 65423485
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896
4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103017111

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine (CID 65020287) is 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine is CCCCC1CCC(N)(Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is YISSOMVWPFOUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-3-5-16-10-12-20(21,13-11-16)15-17-8-9-18-6-4-7-19(18)14-17/h8-9,14,16H,2-7,10-13,15,21H2,1H3.
What are the key properties of 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine?
4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65020287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).