6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen

C13H27NO — CID 163374369

IUPAC6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen
SMILESCC1CC2(C1)CC(NCCOC(C)C)C2.[H][H]
InChIInChI=1S/C13H25NO.H2/c1-10(2)15-5-4-14-12-8-13(9-12)6-11(3)7-13;/h10-12,14H,4-9H2,1-3H3;1H
InChIKeySEBYYDLOPJRMBQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen

6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen (PubChem CID 163374369) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen.

Molecular Properties

Compound Name6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen
PubChem CID163374369
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen
SMILESCC1CC2(C1)CC(NCCOC(C)C)C2.[H][H]
InChIInChI=1S/C13H25NO.H2/c1-10(2)15-5-4-14-12-8-13(9-12)6-11(3)7-13;/h10-12,14H,4-9H2,1-3H3;1H
InChIKeySEBYYDLOPJRMBQ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen?
The IUPAC name of 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen (CID 163374369) is 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen.
What is the SMILES notation for 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen?
The canonical SMILES for 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen is CC1CC2(C1)CC(NCCOC(C)C)C2.[H][H].
What is the InChIKey of 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen?
The InChIKey is SEBYYDLOPJRMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.H2/c1-10(2)15-5-4-14-12-8-13(9-12)6-11(3)7-13;/h10-12,14H,4-9H2,1-3H3;1H.
What are the key properties of 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen?
6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen is sourced from PubChem (CID 163374369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).