methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine

C10H22N2 — CID 90888145

IUPACmethanamine;1-propan-2-yl-3-propan-2-ylideneazetidine
SMILESCC(C)=C1CN(C(C)C)C1.CN
InChIInChI=1S/C9H17N.CH5N/c1-7(2)9-5-10(6-9)8(3)4;1-2/h8H,5-6H2,1-4H3;2H2,1H3
InChIKeyCIYBGWKQFSOCHD-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.62
Rot. Bonds1

About methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine

methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine (PubChem CID 90888145) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine.

Molecular Properties

Compound Namemethanamine;1-propan-2-yl-3-propan-2-ylideneazetidine
PubChem CID90888145
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Namemethanamine;1-propan-2-yl-3-propan-2-ylideneazetidine
SMILESCC(C)=C1CN(C(C)C)C1.CN
InChIInChI=1S/C9H17N.CH5N/c1-7(2)9-5-10(6-9)8(3)4;1-2/h8H,5-6H2,1-4H3;2H2,1H3
InChIKeyCIYBGWKQFSOCHD-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine?
The IUPAC name of methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine (CID 90888145) is methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine.
What is the SMILES notation for methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine?
The canonical SMILES for methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine is CC(C)=C1CN(C(C)C)C1.CN.
What is the InChIKey of methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine?
The InChIKey is CIYBGWKQFSOCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.CH5N/c1-7(2)9-5-10(6-9)8(3)4;1-2/h8H,5-6H2,1-4H3;2H2,1H3.
What are the key properties of methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine?
methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine has a molecular weight of 170.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine is sourced from PubChem (CID 90888145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).