N,5-diethyl-1-(2-methylphenyl)heptan-3-amine

C18H31N — CID 105176885

IUPACN,5-diethyl-1-(2-methylphenyl)heptan-3-amine
SMILESCCNC(CCc1ccccc1C)CC(CC)CC
InChIInChI=1S/C18H31N/c1-5-16(6-2)14-18(19-7-3)13-12-17-11-9-8-10-15(17)4/h8-11,16,18-19H,5-7,12-14H2,1-4H3
InChIKeyFTQAEPFWZSAVDL-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.73
Rot. Bonds9

About N,5-diethyl-1-(2-methylphenyl)heptan-3-amine

N,5-diethyl-1-(2-methylphenyl)heptan-3-amine (PubChem CID 105176885) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,5-diethyl-1-(2-methylphenyl)heptan-3-amine.

Molecular Properties

Compound NameN,5-diethyl-1-(2-methylphenyl)heptan-3-amine
PubChem CID105176885
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,5-diethyl-1-(2-methylphenyl)heptan-3-amine
SMILESCCNC(CCc1ccccc1C)CC(CC)CC
InChIInChI=1S/C18H31N/c1-5-16(6-2)14-18(19-7-3)13-12-17-11-9-8-10-15(17)4/h8-11,16,18-19H,5-7,12-14H2,1-4H3
InChIKeyFTQAEPFWZSAVDL-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
N-ethyl-1-(3-ethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105171234
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-1-(2-methylphenyl)heptan-3-amine?
The IUPAC name of N,5-diethyl-1-(2-methylphenyl)heptan-3-amine (CID 105176885) is N,5-diethyl-1-(2-methylphenyl)heptan-3-amine.
What is the SMILES notation for N,5-diethyl-1-(2-methylphenyl)heptan-3-amine?
The canonical SMILES for N,5-diethyl-1-(2-methylphenyl)heptan-3-amine is CCNC(CCc1ccccc1C)CC(CC)CC.
What is the InChIKey of N,5-diethyl-1-(2-methylphenyl)heptan-3-amine?
The InChIKey is FTQAEPFWZSAVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-16(6-2)14-18(19-7-3)13-12-17-11-9-8-10-15(17)4/h8-11,16,18-19H,5-7,12-14H2,1-4H3.
What are the key properties of N,5-diethyl-1-(2-methylphenyl)heptan-3-amine?
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine has a molecular weight of 261.45 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-1-(2-methylphenyl)heptan-3-amine is sourced from PubChem (CID 105176885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).