1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile

C14H25N3 — CID 79572666

IUPAC1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile
SMILESCC1CC1CN(C)CCC1CCCC1(N)C#N
InChIInChI=1S/C14H25N3/c1-11-8-12(11)9-17(2)7-5-13-4-3-6-14(13,16)10-15/h11-13H,3-9,16H2,1-2H3
InChIKeyMERWRTVSBMCBES-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.99
Rot. Bonds5

About 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79572666) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79572666
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile
SMILESCC1CC1CN(C)CCC1CCCC1(N)C#N
InChIInChI=1S/C14H25N3/c1-11-8-12(11)9-17(2)7-5-13-4-3-6-14(13,16)10-15/h11-13H,3-9,16H2,1-2H3
InChIKeyMERWRTVSBMCBES-UHFFFAOYSA-N
XLogP1.99
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565471
1-amino-2-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]cyclopentane-1-carbonitrile
CID 79573307
1-amino-2-[2-[1-cyclopropylethyl(methyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566124
1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565823
1-amino-2-[2-[ethyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565336
[2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571345
1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
CID 113427255
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
CID 79573395
1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 114087352
1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 83221508
1-amino-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 103284836

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile (CID 79572666) is 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile is CC1CC1CN(C)CCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is MERWRTVSBMCBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-8-12(11)9-17(2)7-5-13-4-3-6-14(13,16)10-15/h11-13H,3-9,16H2,1-2H3.
What are the key properties of 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).