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

C14H26N2 — CID 115867925

IUPAC5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
SMILESCn1ccc(CNCCCCC(C)(C)C)c1
InChIInChI=1S/C14H26N2/c1-14(2,3)8-5-6-9-15-11-13-7-10-16(4)12-13/h7,10,12,15H,5-6,8-9,11H2,1-4H3
InChIKeyBSNKFQPEFIXQGM-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.33
Rot. Bonds6

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

5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine (PubChem CID 115867925) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
PubChem CID115867925
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
SMILESCn1ccc(CNCCCCC(C)(C)C)c1
InChIInChI=1S/C14H26N2/c1-14(2,3)8-5-6-9-15-11-13-7-10-16(4)12-13/h7,10,12,15H,5-6,8-9,11H2,1-4H3
InChIKeyBSNKFQPEFIXQGM-UHFFFAOYSA-N
XLogP3.33
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.33
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

4-(1H-pyrrol-1-yl)piperidine
CID 21922730
3-(1H-pyrrol-1-yl)propan-1-amine
CID 4585582
1,3-dimethyl-1H-pyrrole
CID 10964417
1H-pyrrol-3-ylmethanamine
CID 23295846
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
4-[(1H-pyrrol-1-yl)methyl]piperidine
CID 24265150
4-(1H-pyrrol-1-yl)butan-1-amine
CID 24265151
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752
1-Methyl-2-(1-propyl-1H-pyrrol-3-yl)-ethylamine
CID 14739640
Methyl-(3-pyrrol-1-yl-propyl)amine
CID 15044358

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
The IUPAC name of 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine (CID 115867925) is 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
The canonical SMILES for 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine is Cn1ccc(CNCCCCC(C)(C)C)c1.
What is the InChIKey of 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
The InChIKey is BSNKFQPEFIXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(2,3)8-5-6-9-15-11-13-7-10-16(4)12-13/h7,10,12,15H,5-6,8-9,11H2,1-4H3.
What are the key properties of 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine?
5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine is sourced from PubChem (CID 115867925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).