N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine

C15H32N2O2 — CID 62390646

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-4-14(5-2)17(8-11-18-3)13-15(12-16)6-9-19-10-7-15/h14H,4-13,16H2,1-3H3
InChIKeyXBIPEGHAPVSKTA-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.88
Rot. Bonds9

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 62390646) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID62390646
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-4-14(5-2)17(8-11-18-3)13-15(12-16)6-9-19-10-7-15/h14H,4-13,16H2,1-3H3
InChIKeyXBIPEGHAPVSKTA-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 62390646) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is XBIPEGHAPVSKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-14(5-2)17(8-11-18-3)13-15(12-16)6-9-19-10-7-15/h14H,4-13,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 272.43 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 62390646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).