N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine

C12H23N — CID 88873972

IUPACN,3,3,5,5-pentamethylhepta-1,6-dien-2-amine
SMILESC=CC(C)(C)CC(C)(C)C(=C)NC
InChIInChI=1S/C12H23N/c1-8-11(3,4)9-12(5,6)10(2)13-7/h8,13H,1-2,9H2,3-7H3
InChIKeyILIIPRGDWVUTRC-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.35
Rot. Bonds5

About N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine

N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine (PubChem CID 88873972) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine.

Molecular Properties

Compound NameN,3,3,5,5-pentamethylhepta-1,6-dien-2-amine
PubChem CID88873972
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,3,3,5,5-pentamethylhepta-1,6-dien-2-amine
SMILESC=CC(C)(C)CC(C)(C)C(=C)NC
InChIInChI=1S/C12H23N/c1-8-11(3,4)9-12(5,6)10(2)13-7/h8,13H,1-2,9H2,3-7H3
InChIKeyILIIPRGDWVUTRC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.35
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 N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine?
The IUPAC name of N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine (CID 88873972) is N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine.
What is the SMILES notation for N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine?
The canonical SMILES for N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine is C=CC(C)(C)CC(C)(C)C(=C)NC.
What is the InChIKey of N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine?
The InChIKey is ILIIPRGDWVUTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8-11(3,4)9-12(5,6)10(2)13-7/h8,13H,1-2,9H2,3-7H3.
What are the key properties of N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine?
N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,5,5-pentamethylhepta-1,6-dien-2-amine is sourced from PubChem (CID 88873972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).