N-hexan-2-ylpyrrol-1-amine

C10H18N2 — CID 79090686

IUPACN-hexan-2-ylpyrrol-1-amine
SMILESCCCCC(C)Nn1cccc1
InChIInChI=1S/C10H18N2/c1-3-4-7-10(2)11-12-8-5-6-9-12/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyWBMFDKLKTVDBOB-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.61
Rot. Bonds5

About N-hexan-2-ylpyrrol-1-amine

N-hexan-2-ylpyrrol-1-amine (PubChem CID 79090686) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-hexan-2-ylpyrrol-1-amine.

Molecular Properties

Compound NameN-hexan-2-ylpyrrol-1-amine
PubChem CID79090686
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-hexan-2-ylpyrrol-1-amine
SMILESCCCCC(C)Nn1cccc1
InChIInChI=1S/C10H18N2/c1-3-4-7-10(2)11-12-8-5-6-9-12/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyWBMFDKLKTVDBOB-UHFFFAOYSA-N
XLogP2.61
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-3-ylpyrrol-1-amine
CID 79090889
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834
1-hexan-2-ylpyrrole
CID 62200835
ethyl 2-(pyrrol-1-ylamino)pentanoate
CID 83041117
N-hexan-2-yl-2,6-dimethylpiperidin-1-amine
CID 83007121
1-[(2S)-hexan-2-yl]-2-methylhydrazine
CID 163472766
N-(1-phenylbutyl)pyrrol-1-amine
CID 79090788
boranuide;tributyl(propan-2-yl)phosphanium
CID 173279797
2-(pyrrol-1-ylamino)butanoic acid
CID 69472808
N-octylpyrrol-1-amine
CID 69416123
N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
CID 79090233
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylpyrrol-1-amine?
The IUPAC name of N-hexan-2-ylpyrrol-1-amine (CID 79090686) is N-hexan-2-ylpyrrol-1-amine.
What is the SMILES notation for N-hexan-2-ylpyrrol-1-amine?
The canonical SMILES for N-hexan-2-ylpyrrol-1-amine is CCCCC(C)Nn1cccc1.
What is the InChIKey of N-hexan-2-ylpyrrol-1-amine?
The InChIKey is WBMFDKLKTVDBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-7-10(2)11-12-8-5-6-9-12/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of N-hexan-2-ylpyrrol-1-amine?
N-hexan-2-ylpyrrol-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylpyrrol-1-amine is sourced from PubChem (CID 79090686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).