4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide

C14H28N2O2 — CID 65053308

IUPAC4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCOCC(NC(=O)C1CCC(CN)CC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)13(9-18-3)16-14(17)12-6-4-11(8-15)5-7-12/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyXKOPFNZWCYCDIS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.54
Rot. Bonds6

About 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 65053308) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID65053308
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCOCC(NC(=O)C1CCC(CN)CC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)13(9-18-3)16-14(17)12-6-4-11(8-15)5-7-12/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyXKOPFNZWCYCDIS-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 79527189
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 104694634
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 65053094
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide (CID 65053308) is 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide is COCC(NC(=O)C1CCC(CN)CC1)C(C)C.
What is the InChIKey of 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is XKOPFNZWCYCDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)13(9-18-3)16-14(17)12-6-4-11(8-15)5-7-12/h10-13H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65053308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).