2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile

C11H21N3 — CID 63913922

IUPAC2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile
SMILESCCCCN(C)CC(N)(C#N)C1CC1
InChIInChI=1S/C11H21N3/c1-3-4-7-14(2)9-11(13,8-12)10-5-6-10/h10H,3-7,9,13H2,1-2H3
InChIKeySSXIEWKTXHVNTR-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.35
Rot. Bonds6

About 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile

2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile (PubChem CID 63913922) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile
PubChem CID63913922
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile
SMILESCCCCN(C)CC(N)(C#N)C1CC1
InChIInChI=1S/C11H21N3/c1-3-4-7-14(2)9-11(13,8-12)10-5-6-10/h10H,3-7,9,13H2,1-2H3
InChIKeySSXIEWKTXHVNTR-UHFFFAOYSA-N
XLogP1.35
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]propanenitrile
CID 63907504
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63914354
2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile
CID 63914612
2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
CID 63912896
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
2-amino-2-cyclopropyl-3-[methyl(pentyl)amino]propanoic acid
CID 63910898
2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
CID 63912909
2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile
CID 63907930
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64791568
(2R)-2-amino-2-cyclohexylbutanenitrile
CID 67737237
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
CID 63906066
3-[butan-2-yl(butyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63914008

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile?
The IUPAC name of 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile (CID 63913922) is 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile.
What is the SMILES notation for 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile?
The canonical SMILES for 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile is CCCCN(C)CC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile?
The InChIKey is SSXIEWKTXHVNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-7-14(2)9-11(13,8-12)10-5-6-10/h10H,3-7,9,13H2,1-2H3.
What are the key properties of 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile?
2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile is sourced from PubChem (CID 63913922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).