4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline

C14H24N2 — CID 79299472

IUPAC4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline
SMILESCC(C)C(N)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-10(2)14(15)11(3)12-6-8-13(9-7-12)16(4)5/h6-11,14H,15H2,1-5H3
InChIKeyOAPGPKLVIMRPHK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.84
Rot. Bonds4

About 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline

4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline (PubChem CID 79299472) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline
PubChem CID79299472
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline
SMILESCC(C)C(N)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-10(2)14(15)11(3)12-6-8-13(9-7-12)16(4)5/h6-11,14H,15H2,1-5H3
InChIKeyOAPGPKLVIMRPHK-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.84
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

4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-(3-chloro-4-methylpentan-2-yl)-N,N-dimethylaniline
CID 79297990
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
CID 79298713
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
4-(2-amino-3-methylbutyl)-N,N-dimethylaniline
CID 115347408

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline (CID 79299472) is 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline is CC(C)C(N)C(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline?
The InChIKey is OAPGPKLVIMRPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)14(15)11(3)12-6-8-13(9-7-12)16(4)5/h6-11,14H,15H2,1-5H3.
What are the key properties of 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline?
4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline has a molecular weight of 220.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 79299472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).