N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine

C18H34N2O — CID 82932840

IUPACN-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C18H34N2O/c1-2-11-19-18(15-8-5-3-4-6-9-15)17-13-20-12-7-10-16(20)14-21-17/h15-19H,2-14H2,1H3
InChIKeyQYRFQWVISLSSKJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds5

About N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine

N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine (PubChem CID 82932840) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine
PubChem CID82932840
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C18H34N2O/c1-2-11-19-18(15-8-5-3-4-6-9-15)17-13-20-12-7-10-16(20)14-21-17/h15-19H,2-14H2,1H3
InChIKeyQYRFQWVISLSSKJ-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine (CID 82932840) is N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine is CCCNC(C1CCCCCC1)C1CN2CCCC2CO1.
What is the InChIKey of N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine?
The InChIKey is QYRFQWVISLSSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-11-19-18(15-8-5-3-4-6-9-15)17-13-20-12-7-10-16(20)14-21-17/h15-19H,2-14H2,1H3.
What are the key properties of N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine?
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine is sourced from PubChem (CID 82932840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).