N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

C14H30N2O3 — CID 62391853

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C14H30N2O3/c1-17-8-3-6-16(7-11-18-2)13-14(12-15)4-9-19-10-5-14/h3-13,15H2,1-2H3
InChIKeyKYQSILPUJFZACW-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.73
Rot. Bonds10

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62391853) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID62391853
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C14H30N2O3/c1-17-8-3-6-16(7-11-18-2)13-14(12-15)4-9-19-10-5-14/h3-13,15H2,1-2H3
InChIKeyKYQSILPUJFZACW-UHFFFAOYSA-N
XLogP0.73
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (CID 62391853) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is COCCCN(CCOC)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is KYQSILPUJFZACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-17-8-3-6-16(7-11-18-2)13-14(12-15)4-9-19-10-5-14/h3-13,15H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 274.40 g/mol, XLogP of 0.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62391853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).