2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

C19H27NO — CID 82101148

IUPAC2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC(NC1CCCCCC1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H27NO/c1-14(20-18-9-4-2-3-5-10-18)19(21)17-12-11-15-7-6-8-16(15)13-17/h11-14,18,20H,2-10H2,1H3
InChIKeyXSZAJNZGFVJBMF-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.06
Rot. Bonds4

About 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (PubChem CID 82101148) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
PubChem CID82101148
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC(NC1CCCCCC1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H27NO/c1-14(20-18-9-4-2-3-5-10-18)19(21)17-12-11-15-7-6-8-16(15)13-17/h11-14,18,20H,2-10H2,1H3
InChIKeyXSZAJNZGFVJBMF-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
CID 82258397
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
2-[[1-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]amino]butanoic acid
CID 82100355
2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82261767
3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922913
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
CID 82100823

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The IUPAC name of 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (CID 82101148) is 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.
What is the SMILES notation for 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The canonical SMILES for 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is CC(NC1CCCCCC1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The InChIKey is XSZAJNZGFVJBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14(20-18-9-4-2-3-5-10-18)19(21)17-12-11-15-7-6-8-16(15)13-17/h11-14,18,20H,2-10H2,1H3.
What are the key properties of 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is sourced from PubChem (CID 82101148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).