3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide

C14H28N2O2 — CID 114148256

IUPAC3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2,14(3,4)15)12(18)16-9-10-5-7-11(17)8-6-10/h10-11,17H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyIBGUHELHKKTHHM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide

3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide (PubChem CID 114148256) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
PubChem CID114148256
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2,14(3,4)15)12(18)16-9-10-5-7-11(17)8-6-10/h10-11,17H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyIBGUHELHKKTHHM-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106135461
2-amino-3,3,3-trifluoro-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135692
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114146309
2-amino-2-cyclopropyl-N-(cyclopropylmethyl)propanamide
CID 60867867
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
2,2-dichloro-N-(cyclopropylmethyl)propanamide
CID 126988443
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide
CID 65264740
2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 106127935
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide (CID 114148256) is 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide?
The InChIKey is IBGUHELHKKTHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,14(3,4)15)12(18)16-9-10-5-7-11(17)8-6-10/h10-11,17H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide?
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 114148256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).