4-(aminomethyl)-2,6-dipropylbenzonitrile

C14H20N2 — CID 177223056

IUPAC4-(aminomethyl)-2,6-dipropylbenzonitrile
SMILESCCCc1cc(CN)cc(CCC)c1C#N
InChIInChI=1S/C14H20N2/c1-3-5-12-7-11(9-15)8-13(6-4-2)14(12)10-16/h7-8H,3-6,9,15H2,1-2H3
InChIKeyZCDGFXMNLPFIBO-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.92
Rot. Bonds5

About 4-(aminomethyl)-2,6-dipropylbenzonitrile

4-(aminomethyl)-2,6-dipropylbenzonitrile (PubChem CID 177223056) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-dipropylbenzonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-dipropylbenzonitrile
PubChem CID177223056
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(aminomethyl)-2,6-dipropylbenzonitrile
SMILESCCCc1cc(CN)cc(CCC)c1C#N
InChIInChI=1S/C14H20N2/c1-3-5-12-7-11(9-15)8-13(6-4-2)14(12)10-16/h7-8H,3-6,9,15H2,1-2H3
InChIKeyZCDGFXMNLPFIBO-UHFFFAOYSA-N
XLogP2.92
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-methyl-6-propylbenzonitrile
CID 134540319
4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile
CID 134623563
4-amino-2,6-diethylbenzonitrile
CID 25067369
4-(aminomethyl)-2-(methoxymethyl)benzonitrile
CID 58079864
2,5-dipropylbenzonitrile
CID 21491971
7-bromo-5-propyl-2,1,3-benzothiadiazole-4-carbonitrile
CID 166776831
4-(aminomethyl)-2-bromo-6-chlorobenzonitrile
CID 171013325
3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile
CID 70206262
(3,5-dihexylphenyl)methanamine
CID 174558763
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
2-(aminomethyl)-4-propylphenol
CID 12652118
diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile
CID 160582477

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-dipropylbenzonitrile?
The IUPAC name of 4-(aminomethyl)-2,6-dipropylbenzonitrile (CID 177223056) is 4-(aminomethyl)-2,6-dipropylbenzonitrile.
What is the SMILES notation for 4-(aminomethyl)-2,6-dipropylbenzonitrile?
The canonical SMILES for 4-(aminomethyl)-2,6-dipropylbenzonitrile is CCCc1cc(CN)cc(CCC)c1C#N.
What is the InChIKey of 4-(aminomethyl)-2,6-dipropylbenzonitrile?
The InChIKey is ZCDGFXMNLPFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-5-12-7-11(9-15)8-13(6-4-2)14(12)10-16/h7-8H,3-6,9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2,6-dipropylbenzonitrile?
4-(aminomethyl)-2,6-dipropylbenzonitrile has a molecular weight of 216.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-dipropylbenzonitrile is sourced from PubChem (CID 177223056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).