N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine

C18H27N — CID 43094735

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H27N/c1-14(19-18-9-4-2-3-5-10-18)16-12-11-15-7-6-8-17(15)13-16/h11-14,18-19H,2-10H2,1H3
InChIKeyXQWDPZSRJYFBBV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.55
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine (PubChem CID 43094735) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
PubChem CID43094735
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H27N/c1-14(19-18-9-4-2-3-5-10-18)16-12-11-15-7-6-8-17(15)13-16/h11-14,18-19H,2-10H2,1H3
InChIKeyXQWDPZSRJYFBBV-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexan-1-amine
CID 43079394
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
CID 43224338
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039133
(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81391581
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64739909
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 113262702
(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine (CID 43094735) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine is CC(NC1CCCCCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine?
The InChIKey is XQWDPZSRJYFBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(19-18-9-4-2-3-5-10-18)16-12-11-15-7-6-8-17(15)13-16/h11-14,18-19H,2-10H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine has a molecular weight of 257.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 43094735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).