4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline

C14H24N2 — CID 115890541

IUPAC4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
SMILESCCC(C)NCc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-6-12(3)15-10-13-7-8-14(16(4)5)11(2)9-13/h7-9,12,15H,6,10H2,1-5H3
InChIKeyGPWHAVVSXYRRAC-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.95
Rot. Bonds5

About 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline

4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline (PubChem CID 115890541) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline.

Molecular Properties

Compound Name4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
PubChem CID115890541
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
SMILESCCC(C)NCc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-6-12(3)15-10-13-7-8-14(16(4)5)11(2)9-13/h7-9,12,15H,6,10H2,1-5H3
InChIKeyGPWHAVVSXYRRAC-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
CID 62119982
N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 62122949

Frequently Asked Questions

What is the IUPAC name of 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline?
The IUPAC name of 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline (CID 115890541) is 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline.
What is the SMILES notation for 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline?
The canonical SMILES for 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline is CCC(C)NCc1ccc(N(C)C)c(C)c1.
What is the InChIKey of 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline?
The InChIKey is GPWHAVVSXYRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-12(3)15-10-13-7-8-14(16(4)5)11(2)9-13/h7-9,12,15H,6,10H2,1-5H3.
What are the key properties of 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline?
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline has a molecular weight of 220.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline is sourced from PubChem (CID 115890541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).