N,N,2,7-tetramethylocta-2,7-dien-1-amine

C12H23N — CID 547034

IUPACN,N,2,7-tetramethylocta-2,7-dien-1-amine
SMILESC=C(C)CCCC=C(C)CN(C)C
InChIInChI=1S/C12H23N/c1-11(2)8-6-7-9-12(3)10-13(4)5/h9H,1,6-8,10H2,2-5H3
InChIKeyCUUXALMRKKKTSL-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds6

About N,N,2,7-tetramethylocta-2,7-dien-1-amine

N,N,2,7-tetramethylocta-2,7-dien-1-amine (PubChem CID 547034) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N,2,7-tetramethylocta-2,7-dien-1-amine.

Molecular Properties

Compound NameN,N,2,7-tetramethylocta-2,7-dien-1-amine
PubChem CID547034
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N,2,7-tetramethylocta-2,7-dien-1-amine
SMILESC=C(C)CCCC=C(C)CN(C)C
InChIInChI=1S/C12H23N/c1-11(2)8-6-7-9-12(3)10-13(4)5/h9H,1,6-8,10H2,2-5H3
InChIKeyCUUXALMRKKKTSL-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N,2,7-tetramethylocta-2,7-dien-1-amine?
The IUPAC name of N,N,2,7-tetramethylocta-2,7-dien-1-amine (CID 547034) is N,N,2,7-tetramethylocta-2,7-dien-1-amine.
What is the SMILES notation for N,N,2,7-tetramethylocta-2,7-dien-1-amine?
The canonical SMILES for N,N,2,7-tetramethylocta-2,7-dien-1-amine is C=C(C)CCCC=C(C)CN(C)C.
What is the InChIKey of N,N,2,7-tetramethylocta-2,7-dien-1-amine?
The InChIKey is CUUXALMRKKKTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)8-6-7-9-12(3)10-13(4)5/h9H,1,6-8,10H2,2-5H3.
What are the key properties of N,N,2,7-tetramethylocta-2,7-dien-1-amine?
N,N,2,7-tetramethylocta-2,7-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,7-tetramethylocta-2,7-dien-1-amine is sourced from PubChem (CID 547034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).