3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine

C24H46N2 — CID 164609147

IUPAC3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine
SMILESCCCCCCCCCCCCCCc1c(C)c(C)cn1CCCNC
InChIInChI=1S/C24H46N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-24-23(3)22(2)21-26(24)20-17-19-25-4/h21,25H,5-20H2,1-4H3
InChIKeyYDBLGFURWGKPFX-UHFFFAOYSA-N
MW362.65 g/mol
LogP6.96
Rot. Bonds17

About 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine

3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine (PubChem CID 164609147) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine
PubChem CID164609147
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine
SMILESCCCCCCCCCCCCCCc1c(C)c(C)cn1CCCNC
InChIInChI=1S/C24H46N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-24-23(3)22(2)21-26(24)20-17-19-25-4/h21,25H,5-20H2,1-4H3
InChIKeyYDBLGFURWGKPFX-UHFFFAOYSA-N
XLogP6.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 56.96
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine (CID 164609147) is 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine is CCCCCCCCCCCCCCc1c(C)c(C)cn1CCCNC.
What is the InChIKey of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine?
The InChIKey is YDBLGFURWGKPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-24-23(3)22(2)21-26(24)20-17-19-25-4/h21,25H,5-20H2,1-4H3.
What are the key properties of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine?
3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine has a molecular weight of 362.65 g/mol, XLogP of 6.96, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 164609147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).