N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine

C17H32N2 — CID 66401799

IUPACN-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCCCCCCCCn1cccc1CNC(C)C
InChIInChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-13-19-14-11-12-17(19)15-18-16(2)3/h11-12,14,16,18H,4-10,13,15H2,1-3H3
InChIKeyMXGBTIUDAGCCOC-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.74
Rot. Bonds11

About N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine

N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine (PubChem CID 66401799) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
PubChem CID66401799
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCCCCCCCCn1cccc1CNC(C)C
InChIInChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-13-19-14-11-12-17(19)15-18-16(2)3/h11-12,14,16,18H,4-10,13,15H2,1-3H3
InChIKeyMXGBTIUDAGCCOC-UHFFFAOYSA-N
XLogP4.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.74
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 N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine (CID 66401799) is N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine is CCCCCCCCCn1cccc1CNC(C)C.
What is the InChIKey of N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
The InChIKey is MXGBTIUDAGCCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-13-19-14-11-12-17(19)15-18-16(2)3/h11-12,14,16,18H,4-10,13,15H2,1-3H3.
What are the key properties of N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine has a molecular weight of 264.46 g/mol, XLogP of 4.74, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).