2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide

C14H28N2O — CID 63996094

IUPAC2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
SMILESCC1CCC(NC(=O)C(CN)C(C)C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-9(2)12(8-15)14(17)16-13-6-5-10(3)7-11(13)4/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyMPOULVZWRZSFIK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.16
Rot. Bonds4

About 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide

2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide (PubChem CID 63996094) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
PubChem CID63996094
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
SMILESCC1CCC(NC(=O)C(CN)C(C)C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-9(2)12(8-15)14(17)16-13-6-5-10(3)7-11(13)4/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyMPOULVZWRZSFIK-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 107569791
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)-2-methylpropanamide
CID 63998973
ethyl 2-[(2,4-dimethylcyclohexyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538093
2-cyano-N-(2,4-dimethylcyclohexyl)propanamide
CID 63997154
4-amino-N-(2,4-dimethylcyclohexyl)butanamide
CID 63997351
2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 77014767
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
CID 115625378
(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 104537061
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide (CID 63996094) is 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide is CC1CCC(NC(=O)C(CN)C(C)C)C(C)C1.
What is the InChIKey of 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
The InChIKey is MPOULVZWRZSFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)12(8-15)14(17)16-13-6-5-10(3)7-11(13)4/h9-13H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 63996094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).