6-(2-hexylpyrrol-2-yl)hexan-1-amine

C16H30N2 — CID 57022325

IUPAC6-(2-hexylpyrrol-2-yl)hexan-1-amine
SMILESCCCCCCC1(CCCCCCN)C=CC=N1
InChIInChI=1S/C16H30N2/c1-2-3-4-7-11-16(13-10-15-18-16)12-8-5-6-9-14-17/h10,13,15H,2-9,11-12,14,17H2,1H3
InChIKeyNBLURZGOUUYVOQ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.25
Rot. Bonds11

About 6-(2-hexylpyrrol-2-yl)hexan-1-amine

6-(2-hexylpyrrol-2-yl)hexan-1-amine (PubChem CID 57022325) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 6-(2-hexylpyrrol-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(2-hexylpyrrol-2-yl)hexan-1-amine
PubChem CID57022325
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name6-(2-hexylpyrrol-2-yl)hexan-1-amine
SMILESCCCCCCC1(CCCCCCN)C=CC=N1
InChIInChI=1S/C16H30N2/c1-2-3-4-7-11-16(13-10-15-18-16)12-8-5-6-9-14-17/h10,13,15H,2-9,11-12,14,17H2,1H3
InChIKeyNBLURZGOUUYVOQ-UHFFFAOYSA-N
XLogP4.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.25
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

2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
2-(2-Propylpyrrol-2-yl)ethanamine
CID 57077373
1-(2-Propylpyrrol-2-yl)propan-2-amine
CID 57078424
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629
N-[2-[2-(2-aminoethyl)pyrrol-2-yl]ethyl]dodecan-1-amine
CID 57254824
2-Propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
CID 57272584
2-But-2-ynyl-2-hexylpyrrole
CID 57311069

Frequently Asked Questions

What is the IUPAC name of 6-(2-hexylpyrrol-2-yl)hexan-1-amine?
The IUPAC name of 6-(2-hexylpyrrol-2-yl)hexan-1-amine (CID 57022325) is 6-(2-hexylpyrrol-2-yl)hexan-1-amine.
What is the SMILES notation for 6-(2-hexylpyrrol-2-yl)hexan-1-amine?
The canonical SMILES for 6-(2-hexylpyrrol-2-yl)hexan-1-amine is CCCCCCC1(CCCCCCN)C=CC=N1.
What is the InChIKey of 6-(2-hexylpyrrol-2-yl)hexan-1-amine?
The InChIKey is NBLURZGOUUYVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-3-4-7-11-16(13-10-15-18-16)12-8-5-6-9-14-17/h10,13,15H,2-9,11-12,14,17H2,1H3.
What are the key properties of 6-(2-hexylpyrrol-2-yl)hexan-1-amine?
6-(2-hexylpyrrol-2-yl)hexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hexylpyrrol-2-yl)hexan-1-amine is sourced from PubChem (CID 57022325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).