6,6-dimethyl-3-methylideneheptan-2-amine

C10H21N — CID 145153539

IUPAC6,6-dimethyl-3-methylideneheptan-2-amine
SMILESC=C(CCC(C)(C)C)C(C)N
InChIInChI=1S/C10H21N/c1-8(9(2)11)6-7-10(3,4)5/h9H,1,6-7,11H2,2-5H3
InChIKeyVHGHAKXBXGVZNE-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds3

About 6,6-dimethyl-3-methylideneheptan-2-amine

6,6-dimethyl-3-methylideneheptan-2-amine (PubChem CID 145153539) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 6,6-dimethyl-3-methylideneheptan-2-amine.

Molecular Properties

Compound Name6,6-dimethyl-3-methylideneheptan-2-amine
PubChem CID145153539
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name6,6-dimethyl-3-methylideneheptan-2-amine
SMILESC=C(CCC(C)(C)C)C(C)N
InChIInChI=1S/C10H21N/c1-8(9(2)11)6-7-10(3,4)5/h9H,1,6-7,11H2,2-5H3
InChIKeyVHGHAKXBXGVZNE-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6,6-dimethyl-3-methylideneheptan-2-amine?
The IUPAC name of 6,6-dimethyl-3-methylideneheptan-2-amine (CID 145153539) is 6,6-dimethyl-3-methylideneheptan-2-amine.
What is the SMILES notation for 6,6-dimethyl-3-methylideneheptan-2-amine?
The canonical SMILES for 6,6-dimethyl-3-methylideneheptan-2-amine is C=C(CCC(C)(C)C)C(C)N.
What is the InChIKey of 6,6-dimethyl-3-methylideneheptan-2-amine?
The InChIKey is VHGHAKXBXGVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8(9(2)11)6-7-10(3,4)5/h9H,1,6-7,11H2,2-5H3.
What are the key properties of 6,6-dimethyl-3-methylideneheptan-2-amine?
6,6-dimethyl-3-methylideneheptan-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-methylideneheptan-2-amine is sourced from PubChem (CID 145153539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).