2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide

C15H31N3O — CID 102992933

IUPAC2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
SMILESCCN(CCCN(C)C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(12-8-11-17(2)3)14(19)13-15(16)9-6-5-7-10-15/h4-13,16H2,1-3H3
InChIKeyBBHYQBHOEJQKEY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds7

About 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide

2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide (PubChem CID 102992933) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
PubChem CID102992933
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
SMILESCCN(CCCN(C)C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(12-8-11-17(2)3)14(19)13-15(16)9-6-5-7-10-15/h4-13,16H2,1-3H3
InChIKeyBBHYQBHOEJQKEY-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide (CID 102992933) is 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide is CCN(CCCN(C)C)C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The InChIKey is BBHYQBHOEJQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(12-8-11-17(2)3)14(19)13-15(16)9-6-5-7-10-15/h4-13,16H2,1-3H3.
What are the key properties of 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide is sourced from PubChem (CID 102992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).