2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile

C14H21N3 — CID 43199335

IUPAC2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
SMILESCCN(CC)C(CNCC#N)c1ccccc1
InChIInChI=1S/C14H21N3/c1-3-17(4-2)14(12-16-11-10-15)13-8-6-5-7-9-13/h5-9,14,16H,3-4,11-12H2,1-2H3
InChIKeyQQUYHADCHGSAEL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.18
Rot. Bonds7

About 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile

2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile (PubChem CID 43199335) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
PubChem CID43199335
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
SMILESCCN(CC)C(CNCC#N)c1ccccc1
InChIInChI=1S/C14H21N3/c1-3-17(4-2)14(12-16-11-10-15)13-8-6-5-7-9-13/h5-9,14,16H,3-4,11-12H2,1-2H3
InChIKeyQQUYHADCHGSAEL-UHFFFAOYSA-N
XLogP2.18
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 113482426
4-[[2-(diethylamino)-2-phenylethyl]amino]butanoic acid
CID 43377950
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile
CID 43823027
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile?
The IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile (CID 43199335) is 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile.
What is the SMILES notation for 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile?
The canonical SMILES for 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile is CCN(CC)C(CNCC#N)c1ccccc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile?
The InChIKey is QQUYHADCHGSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-17(4-2)14(12-16-11-10-15)13-8-6-5-7-9-13/h5-9,14,16H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile?
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile is sourced from PubChem (CID 43199335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).