1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine

C10H16N2O2 — CID 66408972

IUPAC1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESc1cc(CNCC2COCCO2)c[nH]1
InChIInChI=1S/C10H16N2O2/c1-2-11-5-9(1)6-12-7-10-8-13-3-4-14-10/h1-2,5,10-12H,3-4,6-8H2
InChIKeyPSKCRRGHJZFQAB-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.52
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine

1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine (PubChem CID 66408972) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
PubChem CID66408972
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESc1cc(CNCC2COCCO2)c[nH]1
InChIInChI=1S/C10H16N2O2/c1-2-11-5-9(1)6-12-7-10-8-13-3-4-14-10/h1-2,5,10-12H,3-4,6-8H2
InChIKeyPSKCRRGHJZFQAB-UHFFFAOYSA-N
XLogP0.52
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-yl)-N-[(4-iodophenyl)methyl]methanamine
CID 65477569
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
4-[(1,4-dioxan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 54893581
1-(5-oxaspiro[2.4]heptan-6-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 167825988
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 60961630
2-bromo-4-[(1,4-dioxan-2-ylmethylamino)methyl]phenol
CID 60962286
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
3-[(1,4-dioxan-2-ylmethylamino)methyl]benzonitrile
CID 54893348
N-[(2,3-difluorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 61024974
N-[(5-bromo-3-pyridinyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 104796776
1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 115686102
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol
CID 60962285

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine (CID 66408972) is 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine is c1cc(CNCC2COCCO2)c[nH]1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The InChIKey is PSKCRRGHJZFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-11-5-9(1)6-12-7-10-8-13-3-4-14-10/h1-2,5,10-12H,3-4,6-8H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine is sourced from PubChem (CID 66408972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).