1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile

C15H26N2O2 — CID 79572034

IUPAC1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCCOCCOCCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C15H26N2O2/c1-2-18-10-11-19-9-7-13-4-3-8-15(13,12-16)17-14-5-6-14/h13-14,17H,2-11H2,1H3
InChIKeyRIWHWSFWTSQHSS-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.24
Rot. Bonds9

About 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79572034) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79572034
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCCOCCOCCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C15H26N2O2/c1-2-18-10-11-19-9-7-13-4-3-8-15(13,12-16)17-14-5-6-14/h13-14,17H,2-11H2,1H3
InChIKeyRIWHWSFWTSQHSS-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.24
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-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572611
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
2-[2-(1-ethoxypropan-2-yloxy)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 103489768
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
1-(cyclopropylamino)-2-[2-[cyclopropylmethyl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79573105
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79573800
1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79570317
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82006574
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile (CID 79572034) is 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile is CCOCCOCCC1CCCC1(C#N)NC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is RIWHWSFWTSQHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-18-10-11-19-9-7-13-4-3-8-15(13,12-16)17-14-5-6-14/h13-14,17H,2-11H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 266.38 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).