4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine

C14H29NO — CID 170086248

IUPAC4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine
SMILESC=C(OC(C)(C)C(C)(C)C)C(N)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-10(11(15)12(2,3)4)16-14(8,9)13(5,6)7/h11H,1,15H2,2-9H3
InChIKeyKOJLPKOEACSCNM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.71
Rot. Bonds3

About 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine

4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine (PubChem CID 170086248) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine
PubChem CID170086248
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine
SMILESC=C(OC(C)(C)C(C)(C)C)C(N)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-10(11(15)12(2,3)4)16-14(8,9)13(5,6)7/h11H,1,15H2,2-9H3
InChIKeyKOJLPKOEACSCNM-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine?
The IUPAC name of 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine (CID 170086248) is 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine.
What is the SMILES notation for 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine?
The canonical SMILES for 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine is C=C(OC(C)(C)C(C)(C)C)C(N)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine?
The InChIKey is KOJLPKOEACSCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(11(15)12(2,3)4)16-14(8,9)13(5,6)7/h11H,1,15H2,2-9H3.
What are the key properties of 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine?
4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine is sourced from PubChem (CID 170086248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).