2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide

C16H33N3O2 — CID 81071607

IUPAC2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O2/c1-13-7-5-9-16(11-13,19(2)3)12-18-15(20)14(17)8-6-10-21-4/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyASUKLEHUYRTMTM-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.37
Rot. Bonds8

About 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide

2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide (PubChem CID 81071607) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
PubChem CID81071607
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O2/c1-13-7-5-9-16(11-13,19(2)3)12-18-15(20)14(17)8-6-10-21-4/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyASUKLEHUYRTMTM-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide (CID 81071607) is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide?
The InChIKey is ASUKLEHUYRTMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-13-7-5-9-16(11-13,19(2)3)12-18-15(20)14(17)8-6-10-21-4/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide?
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide has a molecular weight of 299.46 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide is sourced from PubChem (CID 81071607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).