N-(1H-pyrrol-3-ylmethyl)oxan-3-amine

C10H16N2O — CID 66409421

IUPACN-(1H-pyrrol-3-ylmethyl)oxan-3-amine
SMILESc1cc(CNC2CCCOC2)c[nH]1
InChIInChI=1S/C10H16N2O/c1-2-10(8-13-5-1)12-7-9-3-4-11-6-9/h3-4,6,10-12H,1-2,5,7-8H2
InChIKeyOVTCUPAMEVIIPV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.28
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)oxan-3-amine

N-(1H-pyrrol-3-ylmethyl)oxan-3-amine (PubChem CID 66409421) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)oxan-3-amine
PubChem CID66409421
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(1H-pyrrol-3-ylmethyl)oxan-3-amine
SMILESc1cc(CNC2CCCOC2)c[nH]1
InChIInChI=1S/C10H16N2O/c1-2-10(8-13-5-1)12-7-9-3-4-11-6-9/h3-4,6,10-12H,1-2,5,7-8H2
InChIKeyOVTCUPAMEVIIPV-UHFFFAOYSA-N
XLogP1.28
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
N-(1H-pyrrol-3-ylmethyl)cyclopent-3-en-1-amine
CID 115696355
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
CID 130658457
3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
CID 66408120
1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408972
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)oxan-3-amine?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)oxan-3-amine (CID 66409421) is N-(1H-pyrrol-3-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)oxan-3-amine?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)oxan-3-amine is c1cc(CNC2CCCOC2)c[nH]1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)oxan-3-amine?
The InChIKey is OVTCUPAMEVIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-10(8-13-5-1)12-7-9-3-4-11-6-9/h3-4,6,10-12H,1-2,5,7-8H2.
What are the key properties of N-(1H-pyrrol-3-ylmethyl)oxan-3-amine?
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)oxan-3-amine is sourced from PubChem (CID 66409421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).