5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine

C13H24N2 — CID 115325132

IUPAC5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
SMILESCC(C)CCCCNCc1ccn(C)c1
InChIInChI=1S/C13H24N2/c1-12(2)6-4-5-8-14-10-13-7-9-15(3)11-13/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeyNCNKDPYXXHPZQT-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.94
Rot. Bonds7

About 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine

5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine (PubChem CID 115325132) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
PubChem CID115325132
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
SMILESCC(C)CCCCNCc1ccn(C)c1
InChIInChI=1S/C13H24N2/c1-12(2)6-4-5-8-14-10-13-7-9-15(3)11-13/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeyNCNKDPYXXHPZQT-UHFFFAOYSA-N
XLogP2.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.94
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-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397924
5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115867925
4,4,4-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 115516568
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712
N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 66397506
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795
N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
CID 66399137
5-methyl-N-[(4-methylsulfanylphenyl)methyl]hexan-1-amine
CID 113287353
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 102610013

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine (CID 115325132) is 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine is CC(C)CCCCNCc1ccn(C)c1.
What is the InChIKey of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
The InChIKey is NCNKDPYXXHPZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2)6-4-5-8-14-10-13-7-9-15(3)11-13/h7,9,11-12,14H,4-6,8,10H2,1-3H3.
What are the key properties of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine is sourced from PubChem (CID 115325132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).