N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine

C16H27N — CID 105138418

IUPACN,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
SMILESCCC(C)CC(CCc1cccc(C)c1)NC
InChIInChI=1S/C16H27N/c1-5-13(2)12-16(17-4)10-9-15-8-6-7-14(3)11-15/h6-8,11,13,16-17H,5,9-10,12H2,1-4H3
InChIKeyYFBWWXSGZFQVBA-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.95
Rot. Bonds7

About N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine

N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine (PubChem CID 105138418) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
PubChem CID105138418
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
SMILESCCC(C)CC(CCc1cccc(C)c1)NC
InChIInChI=1S/C16H27N/c1-5-13(2)12-16(17-4)10-9-15-8-6-7-14(3)11-15/h6-8,11,13,16-17H,5,9-10,12H2,1-4H3
InChIKeyYFBWWXSGZFQVBA-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 103032202
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105162422
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-methyl-1-[(3-methylphenyl)methylsulfonyl]butan-2-amine
CID 64675645

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine?
The IUPAC name of N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine (CID 105138418) is N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine?
The canonical SMILES for N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine is CCC(C)CC(CCc1cccc(C)c1)NC.
What is the InChIKey of N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine?
The InChIKey is YFBWWXSGZFQVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-13(2)12-16(17-4)10-9-15-8-6-7-14(3)11-15/h6-8,11,13,16-17H,5,9-10,12H2,1-4H3.
What are the key properties of N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine?
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine is sourced from PubChem (CID 105138418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).