1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile

C14H24N2O2 — CID 79625448

IUPAC1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
SMILESCOCCCOC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2O2/c1-17-8-3-9-18-13-4-2-7-14(10-13,11-15)16-12-5-6-12/h12-13,16H,2-10H2,1H3
InChIKeyBKSPCSHLFJNDFT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds7

About 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile (PubChem CID 79625448) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
PubChem CID79625448
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
SMILESCOCCCOC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2O2/c1-17-8-3-9-18-13-4-2-7-14(10-13,11-15)16-12-5-6-12/h12-13,16H,2-10H2,1H3
InChIKeyBKSPCSHLFJNDFT-UHFFFAOYSA-N
XLogP2.00
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
CID 82956736
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
CID 79649738
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
1-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 79636237
1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
CID 79625232
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexane-1-carbonitrile
CID 79636998
3-(cyclohexylmethoxy)-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79650525
1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79625528

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile (CID 79625448) is 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile is COCCCOC1CCCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile?
The InChIKey is BKSPCSHLFJNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-17-8-3-9-18-13-4-2-7-14(10-13,11-15)16-12-5-6-12/h12-13,16H,2-10H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile has a molecular weight of 252.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).