2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide

C9H21N3O2 — CID 103391695

IUPAC2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
SMILESCOCC(CCCN)N(C)CC(N)=O
InChIInChI=1S/C9H21N3O2/c1-12(6-9(11)13)8(7-14-2)4-3-5-10/h8H,3-7,10H2,1-2H3,(H2,11,13)
InChIKeyBNUKNWZXOVTHHV-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.84
Rot. Bonds8

About 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide

2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide (PubChem CID 103391695) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
PubChem CID103391695
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
SMILESCOCC(CCCN)N(C)CC(N)=O
InChIInChI=1S/C9H21N3O2/c1-12(6-9(11)13)8(7-14-2)4-3-5-10/h8H,3-7,10H2,1-2H3,(H2,11,13)
InChIKeyBNUKNWZXOVTHHV-UHFFFAOYSA-N
XLogP-0.84
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103391776
4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol
CID 103392024
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
methyl 6-amino-3-(dimethylamino)hexanoate
CID 148654494
5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 103391713
5-methoxy-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391761
2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107494968
5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 103391840

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide?
The IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide (CID 103391695) is 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide is COCC(CCCN)N(C)CC(N)=O.
What is the InChIKey of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide?
The InChIKey is BNUKNWZXOVTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-12(6-9(11)13)8(7-14-2)4-3-5-10/h8H,3-7,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide?
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide has a molecular weight of 203.29 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide is sourced from PubChem (CID 103391695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).