2,2-dimethyl-3-pent-4-enoxypropan-1-amine

C10H21NO — CID 79628480

IUPAC2,2-dimethyl-3-pent-4-enoxypropan-1-amine
SMILESC=CCCCOCC(C)(C)CN
InChIInChI=1S/C10H21NO/c1-4-5-6-7-12-9-10(2,3)8-11/h4H,1,5-9,11H2,2-3H3
InChIKeyFKYSIEDMZFJRLT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds7

About 2,2-dimethyl-3-pent-4-enoxypropan-1-amine

2,2-dimethyl-3-pent-4-enoxypropan-1-amine (PubChem CID 79628480) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-pent-4-enoxypropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-pent-4-enoxypropan-1-amine
PubChem CID79628480
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethyl-3-pent-4-enoxypropan-1-amine
SMILESC=CCCCOCC(C)(C)CN
InChIInChI=1S/C10H21NO/c1-4-5-6-7-12-9-10(2,3)8-11/h4H,1,5-9,11H2,2-3H3
InChIKeyFKYSIEDMZFJRLT-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-dimethyl-3-pent-4-enoxypropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-pent-4-enoxypropan-1-amine (CID 79628480) is 2,2-dimethyl-3-pent-4-enoxypropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-pent-4-enoxypropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-pent-4-enoxypropan-1-amine is C=CCCCOCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-3-pent-4-enoxypropan-1-amine?
The InChIKey is FKYSIEDMZFJRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-12-9-10(2,3)8-11/h4H,1,5-9,11H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-pent-4-enoxypropan-1-amine?
2,2-dimethyl-3-pent-4-enoxypropan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-pent-4-enoxypropan-1-amine is sourced from PubChem (CID 79628480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).