4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride

C15H31ClN2O2 — CID 120917393

IUPAC4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
SMILESCC(C)CCCC(C)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)5-4-6-13(3)17-14(18)15(11-16)7-9-19-10-8-15;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyOPNHDMDCKMUZPK-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.49
Rot. Bonds7

About 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120917393) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120917393
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
SMILESCC(C)CCCC(C)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)5-4-6-13(3)17-14(18)15(11-16)7-9-19-10-8-15;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyOPNHDMDCKMUZPK-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]propanoate
CID 115439497
(2S)-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methylpentanoic acid
CID 115439404
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]butanoate;hydrochloride
CID 120922194
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
CID 115439786
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120936516
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride (CID 120917393) is 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride is CC(C)CCCC(C)NC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is OPNHDMDCKMUZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-12(2)5-4-6-13(3)17-14(18)15(11-16)7-9-19-10-8-15;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120917393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).