N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide

C17H32N2O — CID 7075522

IUPACN-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
SMILESCC(=O)N(CCCN(C)C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C
InChIInChI=1S/C17H32N2O/c1-13-10-14(2)17(15(3)11-13)12-19(16(4)20)9-7-8-18(5)6/h10,14-15,17H,7-9,11-12H2,1-6H3/t14-,15-,17+/m0/s1
InChIKeyZLYRCIIIWXAQLB-YQQAZPJKSA-N
MW280.46 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide

N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide (PubChem CID 7075522) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
PubChem CID7075522
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
SMILESCC(=O)N(CCCN(C)C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C
InChIInChI=1S/C17H32N2O/c1-13-10-14(2)17(15(3)11-13)12-19(16(4)20)9-7-8-18(5)6/h10,14-15,17H,7-9,11-12H2,1-6H3/t14-,15-,17+/m0/s1
InChIKeyZLYRCIIIWXAQLB-YQQAZPJKSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide (CID 7075522) is N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide is CC(=O)N(CCCN(C)C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
The InChIKey is ZLYRCIIIWXAQLB-YQQAZPJKSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-10-14(2)17(15(3)11-13)12-19(16(4)20)9-7-8-18(5)6/h10,14-15,17H,7-9,11-12H2,1-6H3/t14-,15-,17+/m0/s1.
What are the key properties of N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide has a molecular weight of 280.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide is sourced from PubChem (CID 7075522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).