4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline

C18H32N2 — CID 43747152

IUPAC4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
SMILESCC(C)CC(CC(C)C)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C18H32N2/c1-14(2)11-18(12-15(3)4)19-17-9-7-16(8-10-17)13-20(5)6/h7-10,14-15,18-19H,11-13H2,1-6H3
InChIKeyHRERPDAWYWWCCV-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.62
Rot. Bonds8

About 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline

4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline (PubChem CID 43747152) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
PubChem CID43747152
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
SMILESCC(C)CC(CC(C)C)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C18H32N2/c1-14(2)11-18(12-15(3)4)19-17-9-7-16(8-10-17)13-20(5)6/h7-10,14-15,18-19H,11-13H2,1-6H3
InChIKeyHRERPDAWYWWCCV-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(dimethylamino)methyl]-N-heptan-2-ylaniline
CID 43747151
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 43747251
4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43791361
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
CID 87000345
5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690375
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine
CID 83962526
N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide
CID 43725216
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline (CID 43747152) is 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline is CC(C)CC(CC(C)C)Nc1ccc(CN(C)C)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline?
The InChIKey is HRERPDAWYWWCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-14(2)11-18(12-15(3)4)19-17-9-7-16(8-10-17)13-20(5)6/h7-10,14-15,18-19H,11-13H2,1-6H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline?
4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline has a molecular weight of 276.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline is sourced from PubChem (CID 43747152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).