2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide

C9H19N3O — CID 116652481

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C9H19N3O/c1-11-9(13)6-12(2)8(5-10)7-3-4-7/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyGWONBPOFIFCAKH-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds5

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide (PubChem CID 116652481) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
PubChem CID116652481
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C9H19N3O/c1-11-9(13)6-12(2)8(5-10)7-3-4-7/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyGWONBPOFIFCAKH-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide
CID 10728135
(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
CID 16745942
4-(2-Amino-4-methylpentyl)-6-(2-methylpropyl)piperazin-2-one
CID 44385949
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-propan-2-ylacetamide
CID 51079480
N-[(2S)-2-amino-4-methylpentyl]acetamide
CID 127044707
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
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CID 133179
2-acetamido-N-cyclopropyl-3-methylbutanamide
CID 4852101

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide (CID 116652481) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide?
The InChIKey is GWONBPOFIFCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(13)6-12(2)8(5-10)7-3-4-7/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide has a molecular weight of 185.27 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 116652481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).