3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide

C14H28N2O — CID 81393226

IUPAC3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide
SMILESC[C@@H](NC(=O)CC(C)(C)N)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-11(12-8-6-4-5-7-9-12)16-13(17)10-14(2,3)15/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyIGLRERLUHQMBRV-LLVKDONJSA-N
MW240.39 g/mol
LogP2.59
Rot. Bonds4

About 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide

3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide (PubChem CID 81393226) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide
PubChem CID81393226
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide
SMILESC[C@@H](NC(=O)CC(C)(C)N)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-11(12-8-6-4-5-7-9-12)16-13(17)10-14(2,3)15/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyIGLRERLUHQMBRV-LLVKDONJSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390694
4-[[(1R)-1-cycloheptylethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81391001
4-[[(1S)-1-cyclohexylethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81387719
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
3-amino-N-(dicyclopropylmethyl)-3-methylbutanamide
CID 64678800
6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
CID 81393462
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
CID 115426905
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide (CID 81393226) is 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide is C[C@@H](NC(=O)CC(C)(C)N)C1CCCCCC1.
What is the InChIKey of 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide?
The InChIKey is IGLRERLUHQMBRV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(12-8-6-4-5-7-9-12)16-13(17)10-14(2,3)15/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide?
3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide is sourced from PubChem (CID 81393226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).