N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride

C16H29ClN2O2 — CID 120935393

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCC3CCCC3C2)CCOCC1
InChIInChI=1S/C16H28N2O2.ClH/c17-11-16(6-8-20-9-7-16)15(19)18-14-5-4-12-2-1-3-13(12)10-14;/h12-14H,1-11,17H2,(H,18,19);1H
InChIKeyLEZOJATULKXFFO-UHFFFAOYSA-N
MW316.87 g/mol
LogP2.25
Rot. Bonds3

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120935393) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
PubChem CID120935393
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCC3CCCC3C2)CCOCC1
InChIInChI=1S/C16H28N2O2.ClH/c17-11-16(6-8-20-9-7-16)15(19)18-14-5-4-12-2-1-3-13(12)10-14;/h12-14H,1-11,17H2,(H,18,19);1H
InChIKeyLEZOJATULKXFFO-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63363409
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4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
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4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
CID 120941198
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CID 120937591
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
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CID 79870065
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053
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CID 115443799

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride (CID 120935393) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CCC3CCCC3C2)CCOCC1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is LEZOJATULKXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c17-11-16(6-8-20-9-7-16)15(19)18-14-5-4-12-2-1-3-13(12)10-14;/h12-14H,1-11,17H2,(H,18,19);1H.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120935393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).