N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine

C17H27NO — CID 63083756

IUPACN-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
SMILESCCCCC(NC)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H27NO/c1-3-4-10-16(18-2)17(11-13-19-14-12-17)15-8-6-5-7-9-15/h5-9,16,18H,3-4,10-14H2,1-2H3
InChIKeyNNBJESYQSBQBOB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine

N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine (PubChem CID 63083756) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
PubChem CID63083756
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
SMILESCCCCC(NC)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H27NO/c1-3-4-10-16(18-2)17(11-13-19-14-12-17)15-8-6-5-7-9-15/h5-9,16,18H,3-4,10-14H2,1-2H3
InChIKeyNNBJESYQSBQBOB-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine?
The IUPAC name of N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine (CID 63083756) is N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine?
The canonical SMILES for N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine is CCCCC(NC)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine?
The InChIKey is NNBJESYQSBQBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-10-16(18-2)17(11-13-19-14-12-17)15-8-6-5-7-9-15/h5-9,16,18H,3-4,10-14H2,1-2H3.
What are the key properties of N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine?
N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine is sourced from PubChem (CID 63083756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).