2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide

C14H29N3O — CID 79121180

IUPAC2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)C1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-5-17(6-2)14(18)11(3)16(4)13-9-7-12(15)8-10-13/h11-13H,5-10,15H2,1-4H3
InChIKeyLTAQGAWOMDGKAW-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds5

About 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide

2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide (PubChem CID 79121180) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
PubChem CID79121180
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)C1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-5-17(6-2)14(18)11(3)16(4)13-9-7-12(15)8-10-13/h11-13H,5-10,15H2,1-4H3
InChIKeyLTAQGAWOMDGKAW-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide
CID 79118803
3-[(4-aminocyclohexyl)-methylamino]butanoic acid
CID 79121835
N,N-diethyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 55248539
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744
2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one
CID 79121745
N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
CID 79115669
2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
CID 79112315
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
N-(4-aminocyclohexyl)-N-ethyl-2-methylpentanamide
CID 79115926
2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
CID 79114794
1-(4-aminocyclohexyl)-1-ethyl-3-propan-2-ylurea
CID 79116126
2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide
CID 79122902

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide (CID 79121180) is 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide?
The InChIKey is LTAQGAWOMDGKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-17(6-2)14(18)11(3)16(4)13-9-7-12(15)8-10-13/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide?
2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 79121180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).