N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine

C15H27NO — CID 106401447

IUPACN-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine
SMILESC=CCCOCCNC1CCC12CCCCC2
InChIInChI=1S/C15H27NO/c1-2-3-12-17-13-11-16-14-7-10-15(14)8-5-4-6-9-15/h2,14,16H,1,3-13H2
InChIKeyYSBCGUZLABAJGR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds7

About N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine

N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine (PubChem CID 106401447) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine
PubChem CID106401447
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine
SMILESC=CCCOCCNC1CCC12CCCCC2
InChIInChI=1S/C15H27NO/c1-2-3-12-17-13-11-16-14-7-10-15(14)8-5-4-6-9-15/h2,14,16H,1,3-13H2
InChIKeyYSBCGUZLABAJGR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine
CID 62597822
N-(2-but-3-enoxyethyl)-3-methylcyclohexan-1-amine
CID 62598002
N-(2-but-3-enoxyethyl)-4-methylcyclohexan-1-amine
CID 62599031
N-(2-but-3-enoxyethyl)-2-methylcyclohexan-1-amine
CID 62599208
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102952452
N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine
CID 103529154
N-(2-but-3-enoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 103854383
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine
CID 103854442
N-(2-but-3-enoxyethyl)-4-propan-2-ylcyclohexan-1-amine
CID 103854527
N-(2-but-3-enoxyethyl)-4-propylcyclohexan-1-amine
CID 103854599
N-(2-but-3-enoxyethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 103904946

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine (CID 106401447) is N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine is C=CCCOCCNC1CCC12CCCCC2.
What is the InChIKey of N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine?
The InChIKey is YSBCGUZLABAJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-12-17-13-11-16-14-7-10-15(14)8-5-4-6-9-15/h2,14,16H,1,3-13H2.
What are the key properties of N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine?
N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 106401447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).