2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile

C12H22N2O — CID 106349522

IUPAC2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)C(CCO)NCC1(CC#N)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)11(3-8-15)14-9-12(4-5-12)6-7-13/h10-11,14-15H,3-6,8-9H2,1-2H3
InChIKeyNDMXSXVDULHLKY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds7

About 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 106349522) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID106349522
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)C(CCO)NCC1(CC#N)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)11(3-8-15)14-9-12(4-5-12)6-7-13/h10-11,14-15H,3-6,8-9H2,1-2H3
InChIKeyNDMXSXVDULHLKY-UHFFFAOYSA-N
XLogP1.68
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
CID 65495825
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 104892073
2-[[1-(cyanomethyl)cyclopropyl]methylamino]-3-methylbutanoic acid
CID 65495894
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
CID 106131749
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
CID 65482515
(1-hydroxy-4-methylpentan-3-yl)cyanamide
CID 106349489
2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
CID 106841881
2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81401842
2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81353637
2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480567
5-[(1-hydroxy-4-methylpentan-3-yl)amino]-4,4-dimethylpentanenitrile
CID 111469212

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile (CID 106349522) is 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile is CC(C)C(CCO)NCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is NDMXSXVDULHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)11(3-8-15)14-9-12(4-5-12)6-7-13/h10-11,14-15H,3-6,8-9H2,1-2H3.
What are the key properties of 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 210.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 106349522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).