3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

C16H33N3O — CID 80700809

IUPAC3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C16H33N3O/c1-16(2,12-19(3)4)11-18-15(20)9-8-13-6-5-7-14(17)10-13/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyRYZJDICPRPQNHO-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds7

About 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (PubChem CID 80700809) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
PubChem CID80700809
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C16H33N3O/c1-16(2,12-19(3)4)11-18-15(20)9-8-13-6-5-7-14(17)10-13/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyRYZJDICPRPQNHO-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (CID 80700809) is 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is CN(C)CC(C)(C)CNC(=O)CCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The InChIKey is RYZJDICPRPQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(2,12-19(3)4)11-18-15(20)9-8-13-6-5-7-14(17)10-13/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 80700809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).