N-methyl-N-(3-methylhexan-3-yl)aniline

C14H23N — CID 146408930

IUPACN-methyl-N-(3-methylhexan-3-yl)aniline
SMILESCCCC(C)(CC)N(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-5-12-14(3,6-2)15(4)13-10-8-7-9-11-13/h7-11H,5-6,12H2,1-4H3
InChIKeyMHOGVZKCBQJAQG-UHFFFAOYSA-N
MW205.35 g/mol
LogP4.09
Rot. Bonds5

About N-methyl-N-(3-methylhexan-3-yl)aniline

N-methyl-N-(3-methylhexan-3-yl)aniline (PubChem CID 146408930) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-methyl-N-(3-methylhexan-3-yl)aniline.

Molecular Properties

Compound NameN-methyl-N-(3-methylhexan-3-yl)aniline
PubChem CID146408930
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-methyl-N-(3-methylhexan-3-yl)aniline
SMILESCCCC(C)(CC)N(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-5-12-14(3,6-2)15(4)13-10-8-7-9-11-13/h7-11H,5-6,12H2,1-4H3
InChIKeyMHOGVZKCBQJAQG-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzyl-3-methylheptan-3-amine
CID 164668379
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
CID 79810832
N-(3-ethylpentan-3-yl)-N-phenylaniline
CID 143940844
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
CID 164668380
N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
CID 63483398
N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N-heptyl-N-methylaniline
CID 54015540
N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
1-N,1-N,1-N',1-N'-tetraphenyl-1-silylpropane-1,1-diamine
CID 173414497

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylhexan-3-yl)aniline?
The IUPAC name of N-methyl-N-(3-methylhexan-3-yl)aniline (CID 146408930) is N-methyl-N-(3-methylhexan-3-yl)aniline.
What is the SMILES notation for N-methyl-N-(3-methylhexan-3-yl)aniline?
The canonical SMILES for N-methyl-N-(3-methylhexan-3-yl)aniline is CCCC(C)(CC)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-(3-methylhexan-3-yl)aniline?
The InChIKey is MHOGVZKCBQJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-12-14(3,6-2)15(4)13-10-8-7-9-11-13/h7-11H,5-6,12H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylhexan-3-yl)aniline?
N-methyl-N-(3-methylhexan-3-yl)aniline has a molecular weight of 205.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylhexan-3-yl)aniline is sourced from PubChem (CID 146408930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).