(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine

C19H25N3O — CID 138712790

IUPAC(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine
SMILESNC1C(NCc2ccccc2)COC[C@H]1NCc1ccccc1
InChIInChI=1S/C19H25N3O/c20-19-17(21-11-15-7-3-1-4-8-15)13-23-14-18(19)22-12-16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14,20H2/t17-,18?,19?/m1/s1
InChIKeyDMZJTYFTVGWJOA-LMDPOFIKSA-N
MW311.43 g/mol
LogP1.66
Rot. Bonds6

About (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine

(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine (PubChem CID 138712790) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine.

Molecular Properties

Compound Name(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine
PubChem CID138712790
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine
SMILESNC1C(NCc2ccccc2)COC[C@H]1NCc1ccccc1
InChIInChI=1S/C19H25N3O/c20-19-17(21-11-15-7-3-1-4-8-15)13-23-14-18(19)22-12-16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14,20H2/t17-,18?,19?/m1/s1
InChIKeyDMZJTYFTVGWJOA-LMDPOFIKSA-N
XLogP1.66
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine?
The IUPAC name of (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine (CID 138712790) is (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine.
What is the SMILES notation for (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine?
The canonical SMILES for (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine is NC1C(NCc2ccccc2)COC[C@H]1NCc1ccccc1.
What is the InChIKey of (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine?
The InChIKey is DMZJTYFTVGWJOA-LMDPOFIKSA-N. The full InChI is InChI=1S/C19H25N3O/c20-19-17(21-11-15-7-3-1-4-8-15)13-23-14-18(19)22-12-16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14,20H2/t17-,18?,19?/m1/s1.
What are the key properties of (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine?
(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine has a molecular weight of 311.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine is sourced from PubChem (CID 138712790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).