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

C11H20N2O — CID 106131749

IUPAC2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(O)CCCNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2O/c1-10(14)3-2-8-13-9-11(4-5-11)6-7-12/h10,13-14H,2-6,8-9H2,1H3
InChIKeyNUAFAYLSIGVILM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.43
Rot. Bonds7

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

2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 106131749) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
PubChem CID106131749
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(O)CCCNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2O/c1-10(14)3-2-8-13-9-11(4-5-11)6-7-12/h10,13-14H,2-6,8-9H2,1H3
InChIKeyNUAFAYLSIGVILM-UHFFFAOYSA-N
XLogP1.43
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.43
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-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
CID 106841881
2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile
CID 65480947
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
CID 65498175
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylamino]propanoate
CID 65480365
2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65497327
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile
CID 107152234
3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
CID 113411333
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile
CID 106349522

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile (CID 106131749) is 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile is CC(O)CCCNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is NUAFAYLSIGVILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(14)3-2-8-13-9-11(4-5-11)6-7-12/h10,13-14H,2-6,8-9H2,1H3.
What are the key properties of 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 106131749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).