(Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine

C17H31NO — CID 102902707

IUPAC(Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H31NO/c1-14(2)18-12-6-7-15(3)13-16-8-11-17(19-16)9-4-5-10-17/h7,14,16,18H,4-6,8-13H2,1-3H3/b15-7-
InChIKeyMICDWQOTXJTVJU-CHHVJCJISA-N
MW265.44 g/mol
LogP4.20
Rot. Bonds6

About (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine

(Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 102902707) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID102902707
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H31NO/c1-14(2)18-12-6-7-15(3)13-16-8-11-17(19-16)9-4-5-10-17/h7,14,16,18H,4-6,8-13H2,1-3H3/b15-7-
InChIKeyMICDWQOTXJTVJU-CHHVJCJISA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.20
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 (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine (CID 102902707) is (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine is C/C(=C/CCNC(C)C)CC1CCC2(CCCC2)O1.
What is the InChIKey of (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is MICDWQOTXJTVJU-CHHVJCJISA-N. The full InChI is InChI=1S/C17H31NO/c1-14(2)18-12-6-7-15(3)13-16-8-11-17(19-16)9-4-5-10-17/h7,14,16,18H,4-6,8-13H2,1-3H3/b15-7-.
What are the key properties of (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
(Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 102902707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).