1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine

C20H31N — CID 65086277

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H31N/c1-15(2)17-7-4-11-20(21,12-10-17)14-16-8-9-18-5-3-6-19(18)13-16/h8-9,13,15,17H,3-7,10-12,14,21H2,1-2H3
InChIKeyHUOILISIONHHOU-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.65
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086277) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086277
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H31N/c1-15(2)17-7-4-11-20(21,12-10-17)14-16-8-9-18-5-3-6-19(18)13-16/h8-9,13,15,17H,3-7,10-12,14,21H2,1-2H3
InChIKeyHUOILISIONHHOU-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449763
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
CID 65020287
1-[(2-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086364
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086657
1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropyl]ethanol
CID 106798252
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086951
1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 83183625
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 79744907
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 166351066

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine (CID 65086277) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N)(Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is HUOILISIONHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-15(2)17-7-4-11-20(21,12-10-17)14-16-8-9-18-5-3-6-19(18)13-16/h8-9,13,15,17H,3-7,10-12,14,21H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).