2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile

C14H24N2 — CID 65495614

IUPAC2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCCC1CCC(NCC2(CC#N)CC2)CC1
InChIInChI=1S/C14H24N2/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h12-13,16H,2-9,11H2,1H3
InChIKeyWDVRXBNMXRGSBX-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds5

About 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65495614) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65495614
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCCC1CCC(NCC2(CC#N)CC2)CC1
InChIInChI=1S/C14H24N2/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h12-13,16H,2-9,11H2,1H3
InChIKeyWDVRXBNMXRGSBX-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile
CID 83033259
2-[1-[[(2-methylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65480154
2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile
CID 65497545
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
CID 65482515
2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65480950
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 65480751
3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile
CID 65083422
2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
CID 65495825

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile (CID 65495614) is 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile is CCC1CCC(NCC2(CC#N)CC2)CC1.
What is the InChIKey of 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is WDVRXBNMXRGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h12-13,16H,2-9,11H2,1H3.
What are the key properties of 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).