1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine

C15H32N2 — CID 130346741

IUPAC1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine
SMILESCCCCCCC(C)(CC)CN1CCC(N)C1
InChIInChI=1S/C15H32N2/c1-4-6-7-8-10-15(3,5-2)13-17-11-9-14(16)12-17/h14H,4-13,16H2,1-3H3
InChIKeyMWGPCOMPVOTGRJ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.41
Rot. Bonds8

About 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine

1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine (PubChem CID 130346741) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine
PubChem CID130346741
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine
SMILESCCCCCCC(C)(CC)CN1CCC(N)C1
InChIInChI=1S/C15H32N2/c1-4-6-7-8-10-15(3,5-2)13-17-11-9-14(16)12-17/h14H,4-13,16H2,1-3H3
InChIKeyMWGPCOMPVOTGRJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-(2-ethyl-2-methylnonyl)-4-methylpiperazine
CID 155044538
1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 75994015
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
1-(2-butyl-2-methyloctyl)-4-methylpiperazine
CID 166898824

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine (CID 130346741) is 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine is CCCCCCC(C)(CC)CN1CCC(N)C1.
What is the InChIKey of 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine?
The InChIKey is MWGPCOMPVOTGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-6-7-8-10-15(3,5-2)13-17-11-9-14(16)12-17/h14H,4-13,16H2,1-3H3.
What are the key properties of 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine?
1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine has a molecular weight of 240.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine is sourced from PubChem (CID 130346741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).