N,3,3-trimethyloct-7-en-4-amine

C11H23N — CID 104987331

IUPACN,3,3-trimethyloct-7-en-4-amine
SMILESC=CCCC(NC)C(C)(C)CC
InChIInChI=1S/C11H23N/c1-6-8-9-10(12-5)11(3,4)7-2/h6,10,12H,1,7-9H2,2-5H3
InChIKeyQTTJIEGRFQQQFW-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About N,3,3-trimethyloct-7-en-4-amine

N,3,3-trimethyloct-7-en-4-amine (PubChem CID 104987331) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N,3,3-trimethyloct-7-en-4-amine.

Molecular Properties

Compound NameN,3,3-trimethyloct-7-en-4-amine
PubChem CID104987331
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN,3,3-trimethyloct-7-en-4-amine
SMILESC=CCCC(NC)C(C)(C)CC
InChIInChI=1S/C11H23N/c1-6-8-9-10(12-5)11(3,4)7-2/h6,10,12H,1,7-9H2,2-5H3
InChIKeyQTTJIEGRFQQQFW-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
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-trimethyloct-7-en-4-amine?
The IUPAC name of N,3,3-trimethyloct-7-en-4-amine (CID 104987331) is N,3,3-trimethyloct-7-en-4-amine.
What is the SMILES notation for N,3,3-trimethyloct-7-en-4-amine?
The canonical SMILES for N,3,3-trimethyloct-7-en-4-amine is C=CCCC(NC)C(C)(C)CC.
What is the InChIKey of N,3,3-trimethyloct-7-en-4-amine?
The InChIKey is QTTJIEGRFQQQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-9-10(12-5)11(3,4)7-2/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of N,3,3-trimethyloct-7-en-4-amine?
N,3,3-trimethyloct-7-en-4-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyloct-7-en-4-amine is sourced from PubChem (CID 104987331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).