N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine

C15H30N2O — CID 65168066

IUPACN'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine
SMILESCCOC1CC(NCCCCN)C12CCCCC2
InChIInChI=1S/C15H30N2O/c1-2-18-14-12-13(17-11-7-6-10-16)15(14)8-4-3-5-9-15/h13-14,17H,2-12,16H2,1H3
InChIKeyYYMRKYCDQPIFBN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.44
Rot. Bonds7

About N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine

N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine (PubChem CID 65168066) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine
PubChem CID65168066
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine
SMILESCCOC1CC(NCCCCN)C12CCCCC2
InChIInChI=1S/C15H30N2O/c1-2-18-14-12-13(17-11-7-6-10-16)15(14)8-4-3-5-9-15/h13-14,17H,2-12,16H2,1H3
InChIKeyYYMRKYCDQPIFBN-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine?
The IUPAC name of N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine (CID 65168066) is N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine?
The canonical SMILES for N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine is CCOC1CC(NCCCCN)C12CCCCC2.
What is the InChIKey of N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine?
The InChIKey is YYMRKYCDQPIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-18-14-12-13(17-11-7-6-10-16)15(14)8-4-3-5-9-15/h13-14,17H,2-12,16H2,1H3.
What are the key properties of N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine?
N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxyspiro[3.5]nonan-1-yl)butane-1,4-diamine is sourced from PubChem (CID 65168066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).