2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile

C11H20N2 — CID 65498175

IUPAC2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
SMILESCCC(C)CNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2/c1-3-10(2)8-13-9-11(4-5-11)6-7-12/h10,13H,3-6,8-9H2,1-2H3
InChIKeyPJRKSTBHCXEVNM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.32
Rot. Bonds6

About 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65498175) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65498175
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
SMILESCCC(C)CNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2/c1-3-10(2)8-13-9-11(4-5-11)6-7-12/h10,13H,3-6,8-9H2,1-2H3
InChIKeyPJRKSTBHCXEVNM-UHFFFAOYSA-N
XLogP2.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile (CID 65498175) is 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile is CCC(C)CNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is PJRKSTBHCXEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-10(2)8-13-9-11(4-5-11)6-7-12/h10,13H,3-6,8-9H2,1-2H3.
What are the key properties of 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65498175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).