2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile

C11H21N3 — CID 63632166

IUPAC2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile
SMILESCN(CC1CCCC1)CC(C)(N)C#N
InChIInChI=1S/C11H21N3/c1-11(13,8-12)9-14(2)7-10-5-3-4-6-10/h10H,3-7,9,13H2,1-2H3
InChIKeyHJOHUTNKVYMNNL-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile

2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile (PubChem CID 63632166) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile
PubChem CID63632166
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile
SMILESCN(CC1CCCC1)CC(C)(N)C#N
InChIInChI=1S/C11H21N3/c1-11(13,8-12)9-14(2)7-10-5-3-4-6-10/h10H,3-7,9,13H2,1-2H3
InChIKeyHJOHUTNKVYMNNL-UHFFFAOYSA-N
XLogP1.35
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile (CID 63632166) is 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile is CN(CC1CCCC1)CC(C)(N)C#N.
What is the InChIKey of 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is HJOHUTNKVYMNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(13,8-12)9-14(2)7-10-5-3-4-6-10/h10H,3-7,9,13H2,1-2H3.
What are the key properties of 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile?
2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclopentylmethyl(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 63632166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).