2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile

C12H21N3O — CID 63912909

IUPAC2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CC(N)(C#N)C1CC1)C1CC1
InChIInChI=1S/C12H21N3O/c1-16-7-6-15(11-4-5-11)9-12(14,8-13)10-2-3-10/h10-11H,2-7,9,14H2,1H3
InChIKeyBGMVTRLIHIDAJW-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.73
Rot. Bonds7

About 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile

2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 63912909) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
PubChem CID63912909
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CC(N)(C#N)C1CC1)C1CC1
InChIInChI=1S/C12H21N3O/c1-16-7-6-15(11-4-5-11)9-12(14,8-13)10-2-3-10/h10-11H,2-7,9,14H2,1H3
InChIKeyBGMVTRLIHIDAJW-UHFFFAOYSA-N
XLogP0.73
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 63912692
1-N-cyclopropyl-1-N-(2-methoxyethyl)-2-methylpentane-1,2-diamine
CID 61452864
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
N'-cyclopropyl-2-ethyl-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 62259426
N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
CID 77110360
2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
CID 63912896
2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile
CID 63913922
2-amino-2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]propanenitrile
CID 63907504
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913568
2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile
CID 63914612
2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine
CID 61418836

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile (CID 63912909) is 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile is COCCN(CC(N)(C#N)C1CC1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is BGMVTRLIHIDAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-16-7-6-15(11-4-5-11)9-12(14,8-13)10-2-3-10/h10-11H,2-7,9,14H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile?
2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 223.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63912909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).