N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine

C15H29N3O2 — CID 123624874

IUPACN-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine
SMILESNC1CCC1CNC1CCOCC1CN1CCOCC1
InChIInChI=1S/C15H29N3O2/c16-14-2-1-12(14)9-17-15-3-6-20-11-13(15)10-18-4-7-19-8-5-18/h12-15,17H,1-11,16H2
InChIKeyCHQYSXKHWYKHRT-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.05
Rot. Bonds5

About N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine

N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine (PubChem CID 123624874) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine
PubChem CID123624874
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine
SMILESNC1CCC1CNC1CCOCC1CN1CCOCC1
InChIInChI=1S/C15H29N3O2/c16-14-2-1-12(14)9-17-15-3-6-20-11-13(15)10-18-4-7-19-8-5-18/h12-15,17H,1-11,16H2
InChIKeyCHQYSXKHWYKHRT-UHFFFAOYSA-N
XLogP0.05
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine?
The IUPAC name of N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine (CID 123624874) is N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine?
The canonical SMILES for N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine is NC1CCC1CNC1CCOCC1CN1CCOCC1.
What is the InChIKey of N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine?
The InChIKey is CHQYSXKHWYKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c16-14-2-1-12(14)9-17-15-3-6-20-11-13(15)10-18-4-7-19-8-5-18/h12-15,17H,1-11,16H2.
What are the key properties of N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine?
N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine has a molecular weight of 283.42 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclobutyl)methyl]-3-(morpholin-4-ylmethyl)oxan-4-amine is sourced from PubChem (CID 123624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).