3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile

C9H16N2 — CID 43363289

IUPAC3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile
SMILESCC(NCCC#N)C1(C)CC1
InChIInChI=1S/C9H16N2/c1-8(9(2)4-5-9)11-7-3-6-10/h8,11H,3-5,7H2,1-2H3
InChIKeyQRDCEPRQXCFQDC-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds4

About 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile

3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile (PubChem CID 43363289) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile
PubChem CID43363289
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile
SMILESCC(NCCC#N)C1(C)CC1
InChIInChI=1S/C9H16N2/c1-8(9(2)4-5-9)11-7-3-6-10/h8,11H,3-5,7H2,1-2H3
InChIKeyQRDCEPRQXCFQDC-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981997
2-(2-cyanoethylamino)propanenitrile
CID 154209614
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43173428
3-(3-methylbutan-2-ylamino)propanenitrile
CID 43183200
N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716177
3-[[(1R)-1-cycloheptylethyl]amino]propanenitrile
CID 81393320
N-(2-cyclobutylethyl)-1-(1-methylcyclopropyl)ethanamine
CID 115893413
N-[2-[1-(1-methylcyclopropyl)ethylamino]ethyl]acetamide
CID 43363271
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
CID 104537205
2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
CID 83211737
3-(5-methylhexan-2-ylamino)propanenitrile
CID 43183224

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile?
The IUPAC name of 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile (CID 43363289) is 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile.
What is the SMILES notation for 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile?
The canonical SMILES for 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile is CC(NCCC#N)C1(C)CC1.
What is the InChIKey of 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile?
The InChIKey is QRDCEPRQXCFQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(9(2)4-5-9)11-7-3-6-10/h8,11H,3-5,7H2,1-2H3.
What are the key properties of 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile?
3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile is sourced from PubChem (CID 43363289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).