N,3-diethyl-1-(3-methylphenyl)pentan-1-amine

C16H27N — CID 82922212

IUPACN,3-diethyl-1-(3-methylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-5-14(6-2)12-16(17-7-3)15-10-8-9-13(4)11-15/h8-11,14,16-17H,5-7,12H2,1-4H3
InChIKeyXZXZIVQVRQNNSI-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.47
Rot. Bonds7

About N,3-diethyl-1-(3-methylphenyl)pentan-1-amine

N,3-diethyl-1-(3-methylphenyl)pentan-1-amine (PubChem CID 82922212) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,3-diethyl-1-(3-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(3-methylphenyl)pentan-1-amine
PubChem CID82922212
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,3-diethyl-1-(3-methylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-5-14(6-2)12-16(17-7-3)15-10-8-9-13(4)11-15/h8-11,14,16-17H,5-7,12H2,1-4H3
InChIKeyXZXZIVQVRQNNSI-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
CID 82922197
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(3-methylphenyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(3-methylphenyl)pentan-1-amine (CID 82922212) is N,3-diethyl-1-(3-methylphenyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(3-methylphenyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(3-methylphenyl)pentan-1-amine is CCNC(CC(CC)CC)c1cccc(C)c1.
What is the InChIKey of N,3-diethyl-1-(3-methylphenyl)pentan-1-amine?
The InChIKey is XZXZIVQVRQNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-14(6-2)12-16(17-7-3)15-10-8-9-13(4)11-15/h8-11,14,16-17H,5-7,12H2,1-4H3.
What are the key properties of N,3-diethyl-1-(3-methylphenyl)pentan-1-amine?
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(3-methylphenyl)pentan-1-amine is sourced from PubChem (CID 82922212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).