4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide

C15H28N2O2 — CID 115439786

IUPAC4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CCOCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-12(13-5-3-2-4-6-13)17-14(18)15(11-16)7-9-19-10-8-15/h12-13H,2-11,16H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyNNLHFLYAFIRKEM-LBPRGKRZSA-N
MW268.40 g/mol
LogP1.83
Rot. Bonds4

About 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide (PubChem CID 115439786) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
PubChem CID115439786
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CCOCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-12(13-5-3-2-4-6-13)17-14(18)15(11-16)7-9-19-10-8-15/h12-13H,2-11,16H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyNNLHFLYAFIRKEM-LBPRGKRZSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(1-cyclohexylethyl)cyclopropane-1-carboxamide
CID 80587607
1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide
CID 115453569
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-cyclohexylacetic acid
CID 115439396
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]propanoate
CID 115439497
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
4-amino-N-(1-cyclopropylethyl)oxane-4-carboxamide
CID 115293707
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
CID 120917393
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide (CID 115439786) is 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide is C[C@H](NC(=O)C1(CN)CCOCC1)C1CCCCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide?
The InChIKey is NNLHFLYAFIRKEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(13-5-3-2-4-6-13)17-14(18)15(11-16)7-9-19-10-8-15/h12-13H,2-11,16H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide is sourced from PubChem (CID 115439786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).