[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine

C18H27NO — CID 65051582

IUPAC[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine
SMILESNCC1(OCc2ccc3c(c2)CCC3)CCCCCC1
InChIInChI=1S/C18H27NO/c19-14-18(10-3-1-2-4-11-18)20-13-15-8-9-16-6-5-7-17(16)12-15/h8-9,12H,1-7,10-11,13-14,19H2
InChIKeyCZGRGOQETVQJLH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.74
Rot. Bonds4

About [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine

[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine (PubChem CID 65051582) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine
PubChem CID65051582
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine
SMILESNCC1(OCc2ccc3c(c2)CCC3)CCCCCC1
InChIInChI=1S/C18H27NO/c19-14-18(10-3-1-2-4-11-18)20-13-15-8-9-16-6-5-7-17(16)12-15/h8-9,12H,1-7,10-11,13-14,19H2
InChIKeyCZGRGOQETVQJLH-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine
CID 65050650
[1-[[4-(trifluoromethoxy)phenyl]methoxy]cyclopentyl]methanamine
CID 65051034
6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
CID 65051805
[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine
CID 82831596
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115244287
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine (CID 65051582) is [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine is NCC1(OCc2ccc3c(c2)CCC3)CCCCCC1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine?
The InChIKey is CZGRGOQETVQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c19-14-18(10-3-1-2-4-11-18)20-13-15-8-9-16-6-5-7-17(16)12-15/h8-9,12H,1-7,10-11,13-14,19H2.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine?
[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 65051582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).