2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile

C10H18N2O — CID 106841881

IUPAC2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCCCO)CC1
InChIInChI=1S/C10H18N2O/c11-6-5-10(3-4-10)9-12-7-1-2-8-13/h12-13H,1-5,7-9H2
InChIKeyRMBVNIVZMIOBLG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.04
Rot. Bonds7

About 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 106841881) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
PubChem CID106841881
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCCCO)CC1
InChIInChI=1S/C10H18N2O/c11-6-5-10(3-4-10)9-12-7-1-2-8-13/h12-13H,1-5,7-9H2
InChIKeyRMBVNIVZMIOBLG-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
CID 106131749
2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile
CID 65480947
2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65497327
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylamino]propanoate
CID 65480365
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
CID 113411333
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile (CID 106841881) is 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNCCCCO)CC1.
What is the InChIKey of 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is RMBVNIVZMIOBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-6-5-10(3-4-10)9-12-7-1-2-8-13/h12-13H,1-5,7-9H2.
What are the key properties of 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 106841881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).