3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide

C12H24N2O3 — CID 81130633

IUPAC3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-2-10(8-13)7-11(15)14-9-12(16)3-5-17-6-4-12/h10,16H,2-9,13H2,1H3,(H,14,15)
InChIKeyVLXXTPFZNHZXQH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds6

About 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide

3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide (PubChem CID 81130633) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
PubChem CID81130633
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-2-10(8-13)7-11(15)14-9-12(16)3-5-17-6-4-12/h10,16H,2-9,13H2,1H3,(H,14,15)
InChIKeyVLXXTPFZNHZXQH-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide (CID 81130633) is 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide is CCC(CN)CC(=O)NCC1(O)CCOCC1.
What is the InChIKey of 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
The InChIKey is VLXXTPFZNHZXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-10(8-13)7-11(15)14-9-12(16)3-5-17-6-4-12/h10,16H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide is sourced from PubChem (CID 81130633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).