2-[4-(hexan-2-ylamino)phenyl]acetonitrile

C14H20N2 — CID 43786419

IUPAC2-[4-(hexan-2-ylamino)phenyl]acetonitrile
SMILESCCCCC(C)Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H20N2/c1-3-4-5-12(2)16-14-8-6-13(7-9-14)10-11-15/h6-9,12,16H,3-5,10H2,1-2H3
InChIKeyBFLNSKXKIVPEMF-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.74
Rot. Bonds6

About 2-[4-(hexan-2-ylamino)phenyl]acetonitrile

2-[4-(hexan-2-ylamino)phenyl]acetonitrile (PubChem CID 43786419) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[4-(hexan-2-ylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(hexan-2-ylamino)phenyl]acetonitrile
PubChem CID43786419
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[4-(hexan-2-ylamino)phenyl]acetonitrile
SMILESCCCCC(C)Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H20N2/c1-3-4-5-12(2)16-14-8-6-13(7-9-14)10-11-15/h6-9,12,16H,3-5,10H2,1-2H3
InChIKeyBFLNSKXKIVPEMF-UHFFFAOYSA-N
XLogP3.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(heptan-3-ylamino)phenyl]acetonitrile
CID 63944926
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
2-[4-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43129975
2-[4-(octan-2-ylamino)phenoxy]acetonitrile
CID 43129974
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708
2-[4-(cyanomethyl)anilino]butanenitrile
CID 62303541
4-butan-2-yl-N-hexan-2-ylaniline
CID 43780445
4-[(dimethylamino)methyl]-N-heptan-2-ylaniline
CID 43747151
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile
CID 43674379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hexan-2-ylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(hexan-2-ylamino)phenyl]acetonitrile (CID 43786419) is 2-[4-(hexan-2-ylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(hexan-2-ylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(hexan-2-ylamino)phenyl]acetonitrile is CCCCC(C)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(hexan-2-ylamino)phenyl]acetonitrile?
The InChIKey is BFLNSKXKIVPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-5-12(2)16-14-8-6-13(7-9-14)10-11-15/h6-9,12,16H,3-5,10H2,1-2H3.
What are the key properties of 2-[4-(hexan-2-ylamino)phenyl]acetonitrile?
2-[4-(hexan-2-ylamino)phenyl]acetonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hexan-2-ylamino)phenyl]acetonitrile is sourced from PubChem (CID 43786419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).