4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide

C14H31N3O2 — CID 66431664

IUPAC4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
SMILESCCC(CC)N(CCOC)C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H31N3O2/c1-6-12(7-2)17(8-9-19-5)13(11-15)10-14(18)16(3)4/h12-13H,6-11,15H2,1-5H3
InChIKeyUAKRMXCYOLGPNZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.93
Rot. Bonds10

About 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide

4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide (PubChem CID 66431664) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
PubChem CID66431664
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
SMILESCCC(CC)N(CCOC)C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H31N3O2/c1-6-12(7-2)17(8-9-19-5)13(11-15)10-14(18)16(3)4/h12-13H,6-11,15H2,1-5H3
InChIKeyUAKRMXCYOLGPNZ-UHFFFAOYSA-N
XLogP0.93
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475
4-amino-3-[3-methoxypropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431256
4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
CID 81059610
4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
CID 64694411
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
CID 66430036
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol
CID 104840396
3-amino-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 106112070

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide (CID 66431664) is 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide is CCC(CC)N(CCOC)C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide?
The InChIKey is UAKRMXCYOLGPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-6-12(7-2)17(8-9-19-5)13(11-15)10-14(18)16(3)4/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide?
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide has a molecular weight of 273.42 g/mol, XLogP of 0.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 66431664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).