N-(2-pyrrolidin-1-ylethyl)undecan-6-amine

C17H36N2 — CID 43767999

IUPACN-(2-pyrrolidin-1-ylethyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCCN1CCCC1
InChIInChI=1S/C17H36N2/c1-3-5-7-11-17(12-8-6-4-2)18-13-16-19-14-9-10-15-19/h17-18H,3-16H2,1-2H3
InChIKeyGYQZDWJKIPSUBZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds12

About N-(2-pyrrolidin-1-ylethyl)undecan-6-amine

N-(2-pyrrolidin-1-ylethyl)undecan-6-amine (PubChem CID 43767999) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)undecan-6-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)undecan-6-amine
PubChem CID43767999
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(2-pyrrolidin-1-ylethyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCCN1CCCC1
InChIInChI=1S/C17H36N2/c1-3-5-7-11-17(12-8-6-4-2)18-13-16-19-14-9-10-15-19/h17-18H,3-16H2,1-2H3
InChIKeyGYQZDWJKIPSUBZ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
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-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
N-(2-thiomorpholin-4-ylethyl)heptan-3-amine
CID 115719254
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
1-chloro-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913663
1-(3-pentylundecyl)pyrrolidine
CID 130279564
1-(4-pentylnonyl)piperidine
CID 68557490
1-(3-pentyldecyl)pyrrolidine
CID 130279619
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107911684

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)undecan-6-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)undecan-6-amine (CID 43767999) is N-(2-pyrrolidin-1-ylethyl)undecan-6-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)undecan-6-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)undecan-6-amine is CCCCCC(CCCCC)NCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)undecan-6-amine?
The InChIKey is GYQZDWJKIPSUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-3-5-7-11-17(12-8-6-4-2)18-13-16-19-14-9-10-15-19/h17-18H,3-16H2,1-2H3.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)undecan-6-amine?
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)undecan-6-amine is sourced from PubChem (CID 43767999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).