N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

C16H34N2O3 — CID 62390997

IUPACN-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCOC)CCOC)CCOCC1
InChIInChI=1S/C16H34N2O3/c1-4-7-17-14-16(5-10-21-11-6-16)15-18(8-12-19-2)9-13-20-3/h17H,4-15H2,1-3H3
InChIKeyCVAWAQMZKHIZKA-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.38
Rot. Bonds12

About N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62390997) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62390997
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC NameN-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCOC)CCOC)CCOCC1
InChIInChI=1S/C16H34N2O3/c1-4-7-17-14-16(5-10-21-11-6-16)15-18(8-12-19-2)9-13-20-3/h17H,4-15H2,1-3H3
InChIKeyCVAWAQMZKHIZKA-UHFFFAOYSA-N
XLogP1.38
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.38
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-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 62390997) is N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN(CCOC)CCOC)CCOCC1.
What is the InChIKey of N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is CVAWAQMZKHIZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-4-7-17-14-16(5-10-21-11-6-16)15-18(8-12-19-2)9-13-20-3/h17H,4-15H2,1-3H3.
What are the key properties of N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 302.46 g/mol, XLogP of 1.38, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62390997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).