4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline

C17H30N2 — CID 63816026

IUPAC4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCc1cc(CC(C)N)ccc1N(CC(C)C)C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)11-19(13(3)4)17-8-7-16(9-14(17)5)10-15(6)18/h7-9,12-13,15H,10-11,18H2,1-6H3
InChIKeyTVDYBMJXNSNODB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.76
Rot. Bonds6

About 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline

4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline (PubChem CID 63816026) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
PubChem CID63816026
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCc1cc(CC(C)N)ccc1N(CC(C)C)C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)11-19(13(3)4)17-8-7-16(9-14(17)5)10-15(6)18/h7-9,12-13,15H,10-11,18H2,1-6H3
InChIKeyTVDYBMJXNSNODB-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63815852
4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
3-methyl-4-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 55000681
4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
CID 60930279
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
CID 63786459
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline (CID 63816026) is 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline is Cc1cc(CC(C)N)ccc1N(CC(C)C)C(C)C.
What is the InChIKey of 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline?
The InChIKey is TVDYBMJXNSNODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)11-19(13(3)4)17-8-7-16(9-14(17)5)10-15(6)18/h7-9,12-13,15H,10-11,18H2,1-6H3.
What are the key properties of 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline?
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline has a molecular weight of 262.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline is sourced from PubChem (CID 63816026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).