N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine

C15H28N2O2 — CID 103181735

IUPACN-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCOCCn1ccc(CNCC(C)C)c1
InChIInChI=1S/C15H28N2O2/c1-14(2)11-16-12-15-5-6-17(13-15)7-10-19-9-4-8-18-3/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyVVXNAVAKKJAXRC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.29
Rot. Bonds11

About N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103181735) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID103181735
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCOCCn1ccc(CNCC(C)C)c1
InChIInChI=1S/C15H28N2O2/c1-14(2)11-16-12-15-5-6-17(13-15)7-10-19-9-4-8-18-3/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyVVXNAVAKKJAXRC-UHFFFAOYSA-N
XLogP2.29
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66404189
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
N-[[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 55073341
1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66406100
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 103411288
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 107913087
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 106455297
N-[[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103412837

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine (CID 103181735) is N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine is COCCCOCCn1ccc(CNCC(C)C)c1.
What is the InChIKey of N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VVXNAVAKKJAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)11-16-12-15-5-6-17(13-15)7-10-19-9-4-8-18-3/h5-6,13-14,16H,4,7-12H2,1-3H3.
What are the key properties of N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103181735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).