N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

C14H26N2O2 — CID 59949989

IUPACN-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(C)C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C14H26N2O2/c1-5-11(6-2)18-13-8-9(3)7-12(15)14(13)16-10(4)17/h8,11-14H,5-7,15H2,1-4H3,(H,16,17)/t12-,13+,14+/m0/s1
InChIKeyDVPBVSPVYRKREQ-BFHYXJOUSA-N
MW254.37 g/mol
LogP1.74
Rot. Bonds5

About N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59949989) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59949989
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(C)C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C14H26N2O2/c1-5-11(6-2)18-13-8-9(3)7-12(15)14(13)16-10(4)17/h8,11-14H,5-7,15H2,1-4H3,(H,16,17)/t12-,13+,14+/m0/s1
InChIKeyDVPBVSPVYRKREQ-BFHYXJOUSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 59949989) is N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC(CC)O[C@@H]1C=C(C)C[C@H](N)[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is DVPBVSPVYRKREQ-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-11(6-2)18-13-8-9(3)7-12(15)14(13)16-10(4)17/h8,11-14H,5-7,15H2,1-4H3,(H,16,17)/t12-,13+,14+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-6-amino-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59949989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).