4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline

C14H24N2 — CID 115715577

IUPAC4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
SMILESCCC(C)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-5-12(2)15-11-10-13-6-8-14(9-7-13)16(3)4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyKOYXDCMARIOWFW-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.68
Rot. Bonds6

About 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline

4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline (PubChem CID 115715577) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
PubChem CID115715577
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
SMILESCCC(C)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-5-12(2)15-11-10-13-6-8-14(9-7-13)16(3)4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyKOYXDCMARIOWFW-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322
N-[3-(4-methoxyphenyl)propyl]butan-2-amine
CID 61023386
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline (CID 115715577) is 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline is CCC(C)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is KOYXDCMARIOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12(2)15-11-10-13-6-8-14(9-7-13)16(3)4/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline?
4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 220.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 115715577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).