4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline

C15H26N2 — CID 40649734

IUPAC4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
SMILESCC[C@@H](C)NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H26N2/c1-5-13(4)16-12-14-8-10-15(11-9-14)17(6-2)7-3/h8-11,13,16H,5-7,12H2,1-4H3/t13-/m1/s1
InChIKeyCULMSAFPCZWOAC-CYBMUJFWSA-N
MW234.39 g/mol
LogP3.42
Rot. Bonds7

About 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline

4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline (PubChem CID 40649734) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
PubChem CID40649734
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
SMILESCC[C@@H](C)NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H26N2/c1-5-13(4)16-12-14-8-10-15(11-9-14)17(6-2)7-3/h8-11,13,16H,5-7,12H2,1-4H3/t13-/m1/s1
InChIKeyCULMSAFPCZWOAC-CYBMUJFWSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol
CID 78997739
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321
N-[[4-[3-[ethyl(methyl)amino]propyl]phenyl]methyl]butan-2-amine;molecular hydrogen;propane
CID 166461654
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline (CID 40649734) is 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline is CC[C@@H](C)NCc1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
The InChIKey is CULMSAFPCZWOAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(4)16-12-14-8-10-15(11-9-14)17(6-2)7-3/h8-11,13,16H,5-7,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline is sourced from PubChem (CID 40649734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).