2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide

C10H21N3O — CID 116653046

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)C(CN)C1CC1
InChIInChI=1S/C10H21N3O/c1-3-8(10(12)14)13(2)9(6-11)7-4-5-7/h7-9H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeyMSZJNQRCFTZLEY-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.08
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide (PubChem CID 116653046) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
PubChem CID116653046
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)C(CN)C1CC1
InChIInChI=1S/C10H21N3O/c1-3-8(10(12)14)13(2)9(6-11)7-4-5-7/h7-9H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeyMSZJNQRCFTZLEY-UHFFFAOYSA-N
XLogP-0.08
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
CID 116652512
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
CID 116651334
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
CID 116652099
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658627
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 116651762
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 116652580
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
CID 116652070
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107181073

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide (CID 116653046) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide is CCC(C(N)=O)N(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide?
The InChIKey is MSZJNQRCFTZLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-8(10(12)14)13(2)9(6-11)7-4-5-7/h7-9H,3-6,11H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.08, 6 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]butanamide is sourced from PubChem (CID 116653046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).