N-ethyl-N-octan-2-ylpyrrolidin-3-amine

C14H30N2 — CID 63299767

IUPACN-ethyl-N-octan-2-ylpyrrolidin-3-amine
SMILESCCCCCCC(C)N(CC)C1CCNC1
InChIInChI=1S/C14H30N2/c1-4-6-7-8-9-13(3)16(5-2)14-10-11-15-12-14/h13-15H,4-12H2,1-3H3
InChIKeyHPGKGSDEQOFPQO-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds8

About N-ethyl-N-octan-2-ylpyrrolidin-3-amine

N-ethyl-N-octan-2-ylpyrrolidin-3-amine (PubChem CID 63299767) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-N-octan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-octan-2-ylpyrrolidin-3-amine
PubChem CID63299767
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-N-octan-2-ylpyrrolidin-3-amine
SMILESCCCCCCC(C)N(CC)C1CCNC1
InChIInChI=1S/C14H30N2/c1-4-6-7-8-9-13(3)16(5-2)14-10-11-15-12-14/h13-15H,4-12H2,1-3H3
InChIKeyHPGKGSDEQOFPQO-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
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

N-ethyl-N-nonan-2-ylpyrrolidin-3-amine
CID 63299683
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
CID 80557958
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-ethyl-N-(piperidin-3-ylmethyl)nonan-2-amine
CID 106624638
2-[ethyl(piperidin-3-yl)amino]-N-pentylpropanamide
CID 63638698
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
CID 63299827
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
3-nonan-3-ylpyrrolidine
CID 146488434
N-ethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63644152
N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 82177219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-octan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-octan-2-ylpyrrolidin-3-amine (CID 63299767) is N-ethyl-N-octan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-octan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-octan-2-ylpyrrolidin-3-amine is CCCCCCC(C)N(CC)C1CCNC1.
What is the InChIKey of N-ethyl-N-octan-2-ylpyrrolidin-3-amine?
The InChIKey is HPGKGSDEQOFPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-7-8-9-13(3)16(5-2)14-10-11-15-12-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N-octan-2-ylpyrrolidin-3-amine?
N-ethyl-N-octan-2-ylpyrrolidin-3-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-octan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 63299767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).