N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine

C17H29NO — CID 79907674

IUPACN-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29NO/c1-14(5-4-11-18-16-6-7-16)15-8-12-19-17(13-15)9-2-3-10-17/h5,15-16,18H,2-4,6-13H2,1H3
InChIKeyBHLZOPXCWLXTGN-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.81
Rot. Bonds5

About N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine

N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine (PubChem CID 79907674) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine
PubChem CID79907674
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29NO/c1-14(5-4-11-18-16-6-7-16)15-8-12-19-17(13-15)9-2-3-10-17/h5,15-16,18H,2-4,6-13H2,1H3
InChIKeyBHLZOPXCWLXTGN-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine (CID 79907674) is N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine is CC(=CCCNC1CC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is BHLZOPXCWLXTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(5-4-11-18-16-6-7-16)15-8-12-19-17(13-15)9-2-3-10-17/h5,15-16,18H,2-4,6-13H2,1H3.
What are the key properties of N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine?
N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 263.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxaspiro[4.5]decan-9-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79907674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).