N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine

C18H36N2O — CID 97349413

IUPACN-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCCC(CC)[C@H]1C[C@@H](NC2CCN(C(C)C)CC2)CCO1
InChIInChI=1S/C18H36N2O/c1-5-15(6-2)18-13-17(9-12-21-18)19-16-7-10-20(11-8-16)14(3)4/h14-19H,5-13H2,1-4H3/t17-,18+/m0/s1
InChIKeyJHXWGXHZYNBMLP-ZWKOTPCHSA-N
MW296.50 g/mol
LogP3.43
Rot. Bonds6

About N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine

N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 97349413) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine
PubChem CID97349413
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCCC(CC)[C@H]1C[C@@H](NC2CCN(C(C)C)CC2)CCO1
InChIInChI=1S/C18H36N2O/c1-5-15(6-2)18-13-17(9-12-21-18)19-16-7-10-20(11-8-16)14(3)4/h14-19H,5-13H2,1-4H3/t17-,18+/m0/s1
InChIKeyJHXWGXHZYNBMLP-ZWKOTPCHSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine (CID 97349413) is N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine is CCC(CC)[C@H]1C[C@@H](NC2CCN(C(C)C)CC2)CCO1.
What is the InChIKey of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JHXWGXHZYNBMLP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-15(6-2)18-13-17(9-12-21-18)19-16-7-10-20(11-8-16)14(3)4/h14-19H,5-13H2,1-4H3/t17-,18+/m0/s1.
What are the key properties of N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine?
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 296.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 97349413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).