2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide

C15H30N2O — CID 83146431

IUPAC2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
SMILESCC(CNC(=O)CC1CCCC(N)C1)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-11(15(2,3)4)10-17-14(18)9-12-6-5-7-13(16)8-12/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyBRTYBCFJMUONRO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide

2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide (PubChem CID 83146431) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
PubChem CID83146431
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
SMILESCC(CNC(=O)CC1CCCC(N)C1)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-11(15(2,3)4)10-17-14(18)9-12-6-5-7-13(16)8-12/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyBRTYBCFJMUONRO-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
CID 62782744
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62783174
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
2-(3-aminocyclohexyl)-N-pentylacetamide
CID 62783155
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine
CID 83144240
2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
CID 62783140
2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603511
3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
CID 64598761
2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141491

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide (CID 83146431) is 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide is CC(CNC(=O)CC1CCCC(N)C1)C(C)(C)C.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide?
The InChIKey is BRTYBCFJMUONRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(15(2,3)4)10-17-14(18)9-12-6-5-7-13(16)8-12/h11-13H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide?
2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide is sourced from PubChem (CID 83146431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).