2-[(2-methylcyclopentyl)methylamino]butanenitrile

C11H20N2 — CID 107418090

IUPAC2-[(2-methylcyclopentyl)methylamino]butanenitrile
SMILESCCC(C#N)NCC1CCCC1C
InChIInChI=1S/C11H20N2/c1-3-11(7-12)13-8-10-6-4-5-9(10)2/h9-11,13H,3-6,8H2,1-2H3
InChIKeyHIACWYDUVCHUPE-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.31
Rot. Bonds4

About 2-[(2-methylcyclopentyl)methylamino]butanenitrile

2-[(2-methylcyclopentyl)methylamino]butanenitrile (PubChem CID 107418090) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-[(2-methylcyclopentyl)methylamino]butanenitrile.

Molecular Properties

Compound Name2-[(2-methylcyclopentyl)methylamino]butanenitrile
PubChem CID107418090
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-[(2-methylcyclopentyl)methylamino]butanenitrile
SMILESCCC(C#N)NCC1CCCC1C
InChIInChI=1S/C11H20N2/c1-3-11(7-12)13-8-10-6-4-5-9(10)2/h9-11,13H,3-6,8H2,1-2H3
InChIKeyHIACWYDUVCHUPE-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)butanenitrile
CID 60996082
2-[(2-methylcyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 107417924
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
3-[(2-methylcyclopentyl)methylamino]propanenitrile
CID 107418190
2-[(2-methylcyclobutyl)amino]butanenitrile
CID 130555959
1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115900849
1-cyclopropyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115713187
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
N-[(2-methylcyclohexyl)methyl]nonan-2-amine
CID 63455367
N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
CID 55013566
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentyl)methylamino]butanenitrile?
The IUPAC name of 2-[(2-methylcyclopentyl)methylamino]butanenitrile (CID 107418090) is 2-[(2-methylcyclopentyl)methylamino]butanenitrile.
What is the SMILES notation for 2-[(2-methylcyclopentyl)methylamino]butanenitrile?
The canonical SMILES for 2-[(2-methylcyclopentyl)methylamino]butanenitrile is CCC(C#N)NCC1CCCC1C.
What is the InChIKey of 2-[(2-methylcyclopentyl)methylamino]butanenitrile?
The InChIKey is HIACWYDUVCHUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-11(7-12)13-8-10-6-4-5-9(10)2/h9-11,13H,3-6,8H2,1-2H3.
What are the key properties of 2-[(2-methylcyclopentyl)methylamino]butanenitrile?
2-[(2-methylcyclopentyl)methylamino]butanenitrile has a molecular weight of 180.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentyl)methylamino]butanenitrile is sourced from PubChem (CID 107418090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).