N,N-dimethyl-1,3-diphenylheptan-1-amine

C21H29N — CID 165348529

IUPACN,N-dimethyl-1,3-diphenylheptan-1-amine
SMILESCCCCC(CC(c1ccccc1)N(C)C)c1ccccc1
InChIInChI=1S/C21H29N/c1-4-5-12-20(18-13-8-6-9-14-18)17-21(22(2)3)19-15-10-7-11-16-19/h6-11,13-16,20-21H,4-5,12,17H2,1-3H3
InChIKeyGNEWEQZOWGDFNY-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.65
Rot. Bonds8

About N,N-dimethyl-1,3-diphenylheptan-1-amine

N,N-dimethyl-1,3-diphenylheptan-1-amine (PubChem CID 165348529) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is N,N-dimethyl-1,3-diphenylheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,3-diphenylheptan-1-amine
PubChem CID165348529
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC NameN,N-dimethyl-1,3-diphenylheptan-1-amine
SMILESCCCCC(CC(c1ccccc1)N(C)C)c1ccccc1
InChIInChI=1S/C21H29N/c1-4-5-12-20(18-13-8-6-9-14-18)17-21(22(2)3)19-15-10-7-11-16-19/h6-11,13-16,20-21H,4-5,12,17H2,1-3H3
InChIKeyGNEWEQZOWGDFNY-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-pentyl-3-phenylheptyl)benzene
CID 154153436
10-phenyltetradecan-5-ylbenzene
CID 22891787
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
heptan-3-ylbenzene;methane
CID 159006232
[(2S)-2-phenylhexyl]hydrazine
CID 124537728
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
(3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine
CID 121461986
octan-3-ylbenzene
CID 519547
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-diphenylheptan-1-amine?
The IUPAC name of N,N-dimethyl-1,3-diphenylheptan-1-amine (CID 165348529) is N,N-dimethyl-1,3-diphenylheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1,3-diphenylheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1,3-diphenylheptan-1-amine is CCCCC(CC(c1ccccc1)N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1,3-diphenylheptan-1-amine?
The InChIKey is GNEWEQZOWGDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-4-5-12-20(18-13-8-6-9-14-18)17-21(22(2)3)19-15-10-7-11-16-19/h6-11,13-16,20-21H,4-5,12,17H2,1-3H3.
What are the key properties of N,N-dimethyl-1,3-diphenylheptan-1-amine?
N,N-dimethyl-1,3-diphenylheptan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-diphenylheptan-1-amine is sourced from PubChem (CID 165348529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).