(1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine

C9H16N2O — CID 141041634

IUPAC(1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine
SMILESCOCC[C@H](N)c1c[nH]cc1C
InChIInChI=1S/C9H16N2O/c1-7-5-11-6-8(7)9(10)3-4-12-2/h5-6,9,11H,3-4,10H2,1-2H3/t9-/m0/s1
InChIKeyCLRFNDSNYMKBFA-VIFPVBQESA-N
MW168.24 g/mol
LogP1.36
Rot. Bonds4

About (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine

(1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine (PubChem CID 141041634) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine
PubChem CID141041634
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine
SMILESCOCC[C@H](N)c1c[nH]cc1C
InChIInChI=1S/C9H16N2O/c1-7-5-11-6-8(7)9(10)3-4-12-2/h5-6,9,11H,3-4,10H2,1-2H3/t9-/m0/s1
InChIKeyCLRFNDSNYMKBFA-VIFPVBQESA-N
XLogP1.36
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine?
The IUPAC name of (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine (CID 141041634) is (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine is COCC[C@H](N)c1c[nH]cc1C.
What is the InChIKey of (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine?
The InChIKey is CLRFNDSNYMKBFA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-5-11-6-8(7)9(10)3-4-12-2/h5-6,9,11H,3-4,10H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine?
(1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 141041634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).