N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine

C18H34N2O — CID 62260424

IUPACN-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCOC3CCCC32)CCCCC1
InChIInChI=1S/C18H34N2O/c1-15(2)19-13-18(9-4-3-5-10-18)14-20-11-12-21-17-8-6-7-16(17)20/h15-17,19H,3-14H2,1-2H3
InChIKeyTZZFCQPRLWUKGY-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds5

About N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 62260424) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID62260424
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCOC3CCCC32)CCCCC1
InChIInChI=1S/C18H34N2O/c1-15(2)19-13-18(9-4-3-5-10-18)14-20-11-12-21-17-8-6-7-16(17)20/h15-17,19H,3-14H2,1-2H3
InChIKeyTZZFCQPRLWUKGY-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

Analyze N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 62260424) is N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(CN2CCOC3CCCC32)CCCCC1.
What is the InChIKey of N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is TZZFCQPRLWUKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)19-13-18(9-4-3-5-10-18)14-20-11-12-21-17-8-6-7-16(17)20/h15-17,19H,3-14H2,1-2H3.
What are the key properties of N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-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-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62260424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).