3,4-dihexyl-1-propylpyrrolidine

C19H39N — CID 174344132

IUPAC3,4-dihexyl-1-propylpyrrolidine
SMILESCCCCCCC1CN(CCC)CC1CCCCCC
InChIInChI=1S/C19H39N/c1-4-7-9-11-13-18-16-20(15-6-3)17-19(18)14-12-10-8-5-2/h18-19H,4-17H2,1-3H3
InChIKeyAKHZRQYGPSAIGP-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.89
Rot. Bonds12

About 3,4-dihexyl-1-propylpyrrolidine

3,4-dihexyl-1-propylpyrrolidine (PubChem CID 174344132) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 3,4-dihexyl-1-propylpyrrolidine.

Molecular Properties

Compound Name3,4-dihexyl-1-propylpyrrolidine
PubChem CID174344132
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name3,4-dihexyl-1-propylpyrrolidine
SMILESCCCCCCC1CN(CCC)CC1CCCCCC
InChIInChI=1S/C19H39N/c1-4-7-9-11-13-18-16-20(15-6-3)17-19(18)14-12-10-8-5-2/h18-19H,4-17H2,1-3H3
InChIKeyAKHZRQYGPSAIGP-UHFFFAOYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1,3-dimethyl-4-pentylpyrrolidine
CID 145095379
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-octyl-2-pentylcyclopentane
CID 170668279
1-propyl-2-undecylcyclopropane
CID 123636027
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
3,4-dioctadecyl-7-oxabicyclo[4.1.0]heptane
CID 88774683
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of 3,4-dihexyl-1-propylpyrrolidine?
The IUPAC name of 3,4-dihexyl-1-propylpyrrolidine (CID 174344132) is 3,4-dihexyl-1-propylpyrrolidine.
What is the SMILES notation for 3,4-dihexyl-1-propylpyrrolidine?
The canonical SMILES for 3,4-dihexyl-1-propylpyrrolidine is CCCCCCC1CN(CCC)CC1CCCCCC.
What is the InChIKey of 3,4-dihexyl-1-propylpyrrolidine?
The InChIKey is AKHZRQYGPSAIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-7-9-11-13-18-16-20(15-6-3)17-19(18)14-12-10-8-5-2/h18-19H,4-17H2,1-3H3.
What are the key properties of 3,4-dihexyl-1-propylpyrrolidine?
3,4-dihexyl-1-propylpyrrolidine has a molecular weight of 281.53 g/mol, XLogP of 5.89, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihexyl-1-propylpyrrolidine is sourced from PubChem (CID 174344132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).