N-(3H-pyrrol-5-ylmethyl)decan-1-amine

C15H28N2 — CID 58291783

IUPACN-(3H-pyrrol-5-ylmethyl)decan-1-amine
SMILESCCCCCCCCCCNCC1=CCC=N1
InChIInChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-12-16-14-15-11-10-13-17-15/h11,13,16H,2-10,12,14H2,1H3
InChIKeyGIHFUKGJILHJGT-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.08
Rot. Bonds11

About N-(3H-pyrrol-5-ylmethyl)decan-1-amine

N-(3H-pyrrol-5-ylmethyl)decan-1-amine (PubChem CID 58291783) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(3H-pyrrol-5-ylmethyl)decan-1-amine.

Molecular Properties

Compound NameN-(3H-pyrrol-5-ylmethyl)decan-1-amine
PubChem CID58291783
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(3H-pyrrol-5-ylmethyl)decan-1-amine
SMILESCCCCCCCCCCNCC1=CCC=N1
InChIInChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-12-16-14-15-11-10-13-17-15/h11,13,16H,2-10,12,14H2,1H3
InChIKeyGIHFUKGJILHJGT-UHFFFAOYSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.08
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-(3H-pyrrol-5-ylmethyl)dodecan-1-amine
CID 58291781
N-(3H-pyrrol-5-ylmethyl)hexadecan-1-amine
CID 58291782
7-[(1E)-cyclodecen-1-yl]-1-methyl-3,4,5,8,9,10-hexahydro-2H-1,4,7-triazecin-7-ium
CID 66873298
1-(Cycloundecen-1-yl)-5-aza-1-azoniacycloundecene
CID 77505506
5-(cyclononen-1-yl)-2,3,6,7,8,9-hexahydro-1H-1,5-diazonin-5-ium
CID 77723794
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
N-propan-2-yl-4-(3H-pyrrol-5-yl)butan-1-amine
CID 117754028
(6Z,9Z,28Z,31Z)-N-[3-(3H-pyrrol-5-yl)propyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 117754039
(6Z,9Z,28Z,31Z)-N-[4-(3H-pyrrol-5-yl)butyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 117754041
2-(1,2,3,4-Tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 144329213
2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine
CID 144718372
5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine
CID 144920999

Frequently Asked Questions

What is the IUPAC name of N-(3H-pyrrol-5-ylmethyl)decan-1-amine?
The IUPAC name of N-(3H-pyrrol-5-ylmethyl)decan-1-amine (CID 58291783) is N-(3H-pyrrol-5-ylmethyl)decan-1-amine.
What is the SMILES notation for N-(3H-pyrrol-5-ylmethyl)decan-1-amine?
The canonical SMILES for N-(3H-pyrrol-5-ylmethyl)decan-1-amine is CCCCCCCCCCNCC1=CCC=N1.
What is the InChIKey of N-(3H-pyrrol-5-ylmethyl)decan-1-amine?
The InChIKey is GIHFUKGJILHJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-12-16-14-15-11-10-13-17-15/h11,13,16H,2-10,12,14H2,1H3.
What are the key properties of N-(3H-pyrrol-5-ylmethyl)decan-1-amine?
N-(3H-pyrrol-5-ylmethyl)decan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-pyrrol-5-ylmethyl)decan-1-amine is sourced from PubChem (CID 58291783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).