4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide

C19H28N2O2 — CID 120919609

IUPAC4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1(CN)CCOCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2O2/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)21-18(22)19(13-20)8-10-23-11-9-19/h6-7,12,14H,2-5,8-11,13,20H2,1H3,(H,21,22)
InChIKeyXIVCBMUDXBCKPF-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.50
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 120919609) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide
PubChem CID120919609
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1(CN)CCOCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2O2/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)21-18(22)19(13-20)8-10-23-11-9-19/h6-7,12,14H,2-5,8-11,13,20H2,1H3,(H,21,22)
InChIKeyXIVCBMUDXBCKPF-UHFFFAOYSA-N
XLogP2.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-(3,5-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 120931700
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120918944
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
4-(aminomethyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120927321
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735
4-(aminomethyl)-N-[1-(4-cyanophenyl)ethyl]oxane-4-carboxamide
CID 115439059
4-(aminomethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120923965
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
4-(aminomethyl)-N-[1-(2,4-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 115439158

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide (CID 120919609) is 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide is CC(NC(=O)C1(CN)CCOCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is XIVCBMUDXBCKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)21-18(22)19(13-20)8-10-23-11-9-19/h6-7,12,14H,2-5,8-11,13,20H2,1H3,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 120919609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).