2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide

C16H33N3O — CID 79110170

IUPAC2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)C1CCC(NC)CC1
InChIInChI=1S/C16H33N3O/c1-5-11-19(12-6-2)16(20)13-18(4)15-9-7-14(17-3)8-10-15/h14-15,17H,5-13H2,1-4H3
InChIKeyBUWWTCHFYFDSHO-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.10
Rot. Bonds8

About 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide

2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide (PubChem CID 79110170) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide
PubChem CID79110170
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)C1CCC(NC)CC1
InChIInChI=1S/C16H33N3O/c1-5-11-19(12-6-2)16(20)13-18(4)15-9-7-14(17-3)8-10-15/h14-15,17H,5-13H2,1-4H3
InChIKeyBUWWTCHFYFDSHO-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide (CID 79110170) is 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C)C1CCC(NC)CC1.
What is the InChIKey of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide?
The InChIKey is BUWWTCHFYFDSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-11-19(12-6-2)16(20)13-18(4)15-9-7-14(17-3)8-10-15/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide?
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide has a molecular weight of 283.46 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide is sourced from PubChem (CID 79110170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).