1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile

C14H18N2 — CID 82113622

IUPAC1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCCN(CC1(C#N)CC1)c1cccc(C)c1
InChIInChI=1S/C14H18N2/c1-3-16(11-14(10-15)7-8-14)13-6-4-5-12(2)9-13/h4-6,9H,3,7-8,11H2,1-2H3
InChIKeyRLDKNAIHTVJEBA-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.13
Rot. Bonds4

About 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile

1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile (PubChem CID 82113622) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile
PubChem CID82113622
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCCN(CC1(C#N)CC1)c1cccc(C)c1
InChIInChI=1S/C14H18N2/c1-3-16(11-14(10-15)7-8-14)13-6-4-5-12(2)9-13/h4-6,9H,3,7-8,11H2,1-2H3
InChIKeyRLDKNAIHTVJEBA-UHFFFAOYSA-N
XLogP3.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde
CID 62276974
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
4-[(N-ethyl-3-methylanilino)methyl]oxane-4-carbaldehyde
CID 55066183
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde
CID 62276787
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
CID 62257422
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
3-[(N-ethyl-3-methylanilino)methyl]-2-fluorobenzonitrile
CID 107114931
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
CID 106661084

Frequently Asked Questions

What is the IUPAC name of 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile (CID 82113622) is 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile is CCN(CC1(C#N)CC1)c1cccc(C)c1.
What is the InChIKey of 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is RLDKNAIHTVJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-16(11-14(10-15)7-8-14)13-6-4-5-12(2)9-13/h4-6,9H,3,7-8,11H2,1-2H3.
What are the key properties of 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile?
1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 82113622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).