(3-ethyl-5-methoxypentyl)-methyl-dipropylazanium

C15H34NO+ — CID 20714787

IUPAC(3-ethyl-5-methoxypentyl)-methyl-dipropylazanium
SMILESCCC[N+](C)(CCC)CCC(CC)CCOC
InChIInChI=1S/C15H34NO/c1-6-11-16(4,12-7-2)13-9-15(8-3)10-14-17-5/h15H,6-14H2,1-5H3/q+1
InChIKeyPRVQLPSHTREEGB-UHFFFAOYSA-N
MW244.44 g/mol
LogP3.71
Rot. Bonds11

About (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium

(3-ethyl-5-methoxypentyl)-methyl-dipropylazanium (PubChem CID 20714787) has the molecular formula C15H34NO+ and a molecular weight of 244.44 g/mol. Its IUPAC name is (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium.

Molecular Properties

Compound Name(3-ethyl-5-methoxypentyl)-methyl-dipropylazanium
PubChem CID20714787
Molecular FormulaC15H34NO+
Molecular Weight244.44 g/mol
Exact Mass244.26
IUPAC Name(3-ethyl-5-methoxypentyl)-methyl-dipropylazanium
SMILESCCC[N+](C)(CCC)CCC(CC)CCOC
InChIInChI=1S/C15H34NO/c1-6-11-16(4,12-7-2)13-9-15(8-3)10-14-17-5/h15H,6-14H2,1-5H3/q+1
InChIKeyPRVQLPSHTREEGB-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-Methoxyethyl)-1-propylpiperidine
CID 134579822
5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine
CID 135082618
1-(Fluoromethyl)-4-(2-methoxyethyl)piperidine
CID 154684316
5-(Diethylamino)-3-methylpentan-1-ol
CID 12040636
5-(Dibutylamino)-3-methylpentan-1-ol
CID 12040637
N,N-dibutyl-4-methyloxan-2-amine
CID 12040644
N,N,4-trimethyloxan-2-amine
CID 12349967
N,N-diethyl-5-methoxypentan-1-amine
CID 13112460
3-ethyl-5-methoxy-N,N-dimethylpentan-1-amine
CID 20714780
3-ethyl-5-methoxy-N,N-dipropylpentan-1-amine
CID 20714781
3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 20714783
(3-Ethyl-5-methoxypentyl)-trimethylazanium
CID 20714784

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium?
The IUPAC name of (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium (CID 20714787) is (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium.
What is the SMILES notation for (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium?
The canonical SMILES for (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium is CCC[N+](C)(CCC)CCC(CC)CCOC.
What is the InChIKey of (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium?
The InChIKey is PRVQLPSHTREEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34NO/c1-6-11-16(4,12-7-2)13-9-15(8-3)10-14-17-5/h15H,6-14H2,1-5H3/q+1.
What are the key properties of (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium?
(3-ethyl-5-methoxypentyl)-methyl-dipropylazanium has a molecular weight of 244.44 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methoxypentyl)-methyl-dipropylazanium is sourced from PubChem (CID 20714787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).