N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine

C17H27NO — CID 97322922

IUPACN-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine
SMILESCC[C@H](NC1CCOCC1)C(C)(C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-4-16(18-15-10-12-19-13-11-15)17(2,3)14-8-6-5-7-9-14/h5-9,15-16,18H,4,10-13H2,1-3H3/t16-/m0/s1
InChIKeySTAGLHZQRMNDMT-INIZCTEOSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds5

About N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine

N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine (PubChem CID 97322922) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine
PubChem CID97322922
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine
SMILESCC[C@H](NC1CCOCC1)C(C)(C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-4-16(18-15-10-12-19-13-11-15)17(2,3)14-8-6-5-7-9-14/h5-9,15-16,18H,4,10-13H2,1-3H3/t16-/m0/s1
InChIKeySTAGLHZQRMNDMT-INIZCTEOSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine?
The IUPAC name of N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine (CID 97322922) is N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine.
What is the SMILES notation for N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine?
The canonical SMILES for N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine is CC[C@H](NC1CCOCC1)C(C)(C)c1ccccc1.
What is the InChIKey of N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine?
The InChIKey is STAGLHZQRMNDMT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-16(18-15-10-12-19-13-11-15)17(2,3)14-8-6-5-7-9-14/h5-9,15-16,18H,4,10-13H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine?
N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine is sourced from PubChem (CID 97322922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).