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

C10H18N2 — CID 65481331

IUPAC2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(C)CNCC1(CC#N)CC1
InChIInChI=1S/C10H18N2/c1-9(2)7-12-8-10(3-4-10)5-6-11/h9,12H,3-5,7-8H2,1-2H3
InChIKeyAMSNFSZMGUKNCE-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.93
Rot. Bonds5

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

2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65481331) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65481331
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(C)CNCC1(CC#N)CC1
InChIInChI=1S/C10H18N2/c1-9(2)7-12-8-10(3-4-10)5-6-11/h9,12H,3-5,7-8H2,1-2H3
InChIKeyAMSNFSZMGUKNCE-UHFFFAOYSA-N
XLogP1.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile (CID 65481331) is 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile is CC(C)CNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is AMSNFSZMGUKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)7-12-8-10(3-4-10)5-6-11/h9,12H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 166.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65481331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).